2-(N-Cbz)-3-(N-Boc)-2,3-二氨基丙酸; (2S)-3-(叔丁氧羰基氨基)-2-(苄氧羰基氨基)丙酸,16947-84-5，生产厂家，价格-洛克化工网移动版

2-(N-Cbz)-3-(N-Boc)-2,3-二氨基丙酸; (2S)-3-(叔丁氧羰基氨基)-2-(苄氧羰基氨基)丙酸

中文名称：: 2-(N-Cbz)-3-(N-Boc)-2,3-二氨基丙酸; (2S)-3-(叔丁氧羰基氨基)-2-(苄氧羰基氨基)丙酸

中文别名：: 2-(N-Cbz)-3-(N-Boc)-2,3-二氨基丙酸;
(S)-2-(CBZ-氨基)-3-(BOC-氨基)丙酸;
(2S)-3-(叔丁氧羰基氨基)-2-(苄氧羰基氨基)丙酸;
CBZ-3-BOC-L-2,3-二氨基丙酸;
N-苄氧羰基-N'-叔丁氧羰基-L-2,3-二氨基丙酸;
Cbz-3-Boc-L-2,3-二氨基丙酸;
(S)-2-(N-CBZ)-3-(N-BOC)-2,3-二氨基丙酸;
(S)-2-(Cbz-氨基)-3-(Boc-氨基)丙酸;
L-N-CBZ-3-N-BOC-氨基-丙氨酸;
CBZ-L-(+)-3-N-BOC-2,3-二氨基丙酸

英文名称：: L-Alanine,3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-

英文别名：: L-N-Cbz-3-N-Boc-Amino-Alanine;
Nα-Z-Nβ-Boc-L-2,3-diaminopropionic acid;
Z-Dap(Boc)-OH;
Z-3-(Boc-amino)-L-alanine;
Cbz-3-Boc- L-2,3-diaminopropionic acid;
(2S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid;
(S)-2-(((Benzyloxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)propanoic acid

CAS No.：: 16947-84-5

分子式：: C₁₆H₂₂N₂O₆

分子量：: 338.36

精确分子量：: 338.14800

PSA：: 113.96000

MDL：: MFCD00237342

BRN：: 3629152

InChI：: InChI=1/C16H22N2O6/c1-16(2,3)24-14(21)17-9-12(13(19)20)18-15(22)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m0/s13

分子结构式：

SDS：: 查看

2-(N-Cbz)-3-(N-Boc)-2,3-二氨基丙酸; (2S)-3-(叔丁氧羰基氨基)-2-(苄氧羰基氨基)丙酸物化性质

密度：: 1.235g/cm3
沸点：: 548.7ºC at 760mmHg
闪点：: 285.6ºC
折射率：: 1.533
蒸汽压：: 7.12E-13mmHg at 25°C
其它信息：: 1. 性状：未确定
2. 密度（g/mL,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：未确定
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：未确定
9. 比旋光度（º）：未确定
10. 自燃点或引燃温度（ºC）：未确定
11. 蒸气压（kPa,25ºC）：未确定
12. 饱和蒸气压（kPa,60ºC）：未确定
13. 燃烧热（KJ/mol）：未确定
14. 临界温度（ºC）：未确定
15. 临界压力（KPa）：未确定
16. 油水（辛醇/水）分配系数的对数值：未确定
17. 爆炸上限（%,V/V）：未确定
18. 爆炸下限（%,V/V）：未确定
19. 溶解性：未确定

2-(N-Cbz)-3-(N-Boc)-2,3-二氨基丙酸; (2S)-3-(叔丁氧羰基氨基)-2-(苄氧羰基氨基)丙酸安全信息

海关代码：: 2924299090
WGK_Germany：: 3
德国有关水污染物质的分类清单

2-(N-Cbz)-3-(N-Boc)-2,3-二氨基丙酸; (2S)-3-(叔丁氧羰基氨基)-2-(苄氧羰基氨基)丙酸 MSDS

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Z-Dap(Boc)-OH
    CAS-No.        : 16947-84-5
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Label elements
    Caution - substance not yet tested completely.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    : Nα-Z-Nβ-Boc-L-2,3-diaminopropionic acid
    Synonyms
    Z-3-(Boc-amino)-L-alanine
    Formula        : C16H22N2O6
    Molecular Weight        : 338,36 g/mol

Section 4. FIRST AID MEASURES
  Description of first aid measures
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration.
  In case of skin contact
    Wash off with soap and plenty of water.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water.
  Most important symptoms and effects, both acute and delayed
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, nitrogen oxides (NOx)
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Avoid dust formation. Avoid breathing vapors, mist or gas.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Sweep up and shovel. Keep in suitable, closed containers for disposal.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
    protection.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end uses
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    General industrial hygiene practice.
  Personal protective equipment
  Eye/face protection
    Use equipment for eye protection tested and approved under appropriate government standards
    such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Choose body protection in relation to its type, to the concentration and amount of dangerous
    substances, and to the specific work-place., The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
    use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: powder
    Colour: white
    b) Odour        no data available
    c) Odour Threshold        no data available
    d) pH        no data available
    e) Melting point/freezing        no data available
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available
    h) Evaporation rate        no data available
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available
    flammability or
    explosive limits
    k) Vapour pressure        no data available
    l) Vapour density        no data available
    m) Relative density        no data available
    n) Water solubility        no data available
    o) Partition coefficient: n- no data available
    octanol/water
    p) Autoignition        no data available
    temperature
    q) Decomposition        no data available
    temperature
    r) Viscosity        no data available
    s) Explosive properties        no data available
    t) Oxidizing properties        no data available
  Other safety information
    no data available

Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation
    May be harmful if inhaled. May cause respiratory tract irritation.
  Ingestion        May be harmful if swallowed.
  Skin        May be harmful if absorbed through skin. May cause skin irritation.
  Eyes        May cause eye irritation.
  Additional Information
    RTECS: Not available

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: -        IMDG: -        IATA: -
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no
  Special precautions for user
    no data available

Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    no data available

Section 16. OTHER INFORMATION
  Further information
    Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

2-(N-Cbz)-3-(N-Boc)-2,3-二氨基丙酸; (2S)-3-(叔丁氧羰基氨基)-2-(苄氧羰基氨基)丙酸海关数据

中国海关编码：2924299090

概述：: 2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素：: 品名, 成分含量, 用途, 包装
摘要/Summary：: 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-(N-Cbz)-3-(N-Boc)-2,3-二氨基丙酸; (2S)-3-(叔丁氧羰基氨基)-2-(苄氧羰基氨基)丙酸分子结构与计算化学数据

分子结构数据

1、摩尔折射率：85.09

2、摩尔体积（cm³/mol）：273.9

3、等张比容（90.2K）：721.8

4、表面张力（3.0 dyne/cm）：48.1

5、极化率（0.5 10^-24cm³）：33.73

计算化学数据

1.疏水参数计算参考值（XlogP）:1.8

2.氢键供体数量:3

3.氢键受体数量:6

4.可旋转化学键数量:9

5.互变异构体数量:4

6.拓扑分子极性表面积114

7.重原子数量:24

8.表面电荷:0

9.复杂度:440

10.同位素原子数量:0

11.确定原子立构中心数量:1

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

2-(N-Cbz)-3-(N-Boc)-2,3-二氨基丙酸; (2S)-3-(叔丁氧羰基氨基)-2-(苄氧羰基氨基)丙酸上游产品

二碳酸二叔丁酯 Cbz-beta-氨基-L-丙氨酸; N-alpha-苄氧羰基-L-2,3-二氨基丙酸 (S)-2-N-Cbz-3-N-Boc-丙酸甲酯; 3-叔丁氧羰基氨基-N-苄氧羰基-L-丙氨酸甲酯 N-苄氧羰基-L-23-二氨基丙酸

2-(N-Cbz)-3-(N-Boc)-2,3-二氨基丙酸; (2S)-3-(叔丁氧羰基氨基)-2-(苄氧羰基氨基)丙酸下游产品

Cbz-beta-氨基-L-丙氨酸; N-alpha-苄氧羰基-L-2,3-二氨基丙酸 (S)-2-N-Cbz-3-N-Boc-丙酸甲酯; 3-叔丁氧羰基氨基-N-苄氧羰基-L-丙氨酸甲酯 L-3-N-Boc-2,3-二氨基丙酸甲酯; 3-叔丁氧羰基氨基-L-丙氨酸甲酯 Nα-Cbz-β-amino-L-alanine methyl ester 3-(甲基氨基)-n-[(苯基甲氧基)羰基]-l-丙氨酸甲酯