(3S)-(+)-1-苄基-3-(甲氨基)吡咯烷,169749-99-9，生产厂家，价格-洛克化工网移动版

(3S)-(+)-1-苄基-3-(甲氨基)吡咯烷

中文名称：: (3S)-(+)-1-苄基-3-(甲氨基)吡咯烷

中文别名：: (S)-N-苄基-3-甲氨基吡咯烷;
(3S)-(+)-1-苄基-3-(甲氨基)吡啶烷;
(3S)-(+)-1-苄基-3-(甲氨基)吡咯烷

英文名称：: (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine

英文别名：: (S)-N-Benzyl-3-methylaminopyrrolidine;
(S)-1-Benzyl-3-methylaminopyrrolidine;
(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine;
(3S)-1-benzyl-N-methylpyrrolidin-3-amine

CAS No.：: 169749-99-9

分子式：: C₁₂H₁₈N₂

分子量：: 190.28

精确分子量：: 190.14700

PSA：: 15.27000

InChI：: InChI=1/C12H18N2/c1-13-12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-/m0/s13

风险术语：: 22-52

分子结构式：

SDS：: 查看

(3S)-(+)-1-苄基-3-(甲氨基)吡咯烷物化性质

密度：: 0.99 g/cm3
沸点：: 273.066ºC at 760 mmHg
闪点：: 105.62ºC
蒸汽压：: 0.006mmHg at 25°C
其它信息：: 1.      性状：未确定

2.      密度（g/mL,20℃）：0.99

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 mm）：未确定

7.      折射率：3º

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

(3S)-(+)-1-苄基-3-(甲氨基)吡咯烷安全信息

海关代码：: 2933990090

(3S)-(+)-1-苄基-3-(甲氨基)吡咯烷 MSDS

(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine Revision number: 1
SAFETY DATA SHEET

Section 1. BASE INFORMATION
Product name: (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine

Revision number: 1

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified
  HEALTH HAZARDS
    Category 1C
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 1
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Danger
  Hazard statement        Causes severe skin burns and eye damage
  Precautionary statements
  [Prevention]        Do not breathe.
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
    Store locked up.
  [Storage]
  [Disposal]        Dispose of contents/container through a waste management company authorized by
    the local government

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance
  Component(s):        (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine
    >98.0%(GC)
  Percent:
  CAS Number:        169749-99-9
  Chemical Formula:        C12H18N2

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
    induce vomiting.
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.
  media:
  Extinguishing media not to Water (It may scatter and spread fire.)
  be used:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to
    generate poisonous fume.
  Specific methods:        Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (self-contained breathing apparatus). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.

Section 7. HANDLING AND STORAGE
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.
    Prevent generation of vapor or mist. Wash hands and face thoroughly after handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapor or aerosol
    will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.
    Store under inert gas.
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection:        Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Hand protection:        Impervious gloves.
  Eye protection:        Safety goggles. A face-shield, if the situation requires.
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid
    clear
  Form:
  Color:        Colorless - Very pale yellow
  Odor:        No data available
  pH: No data available
  Melting point/freezing point:No data available
  Boiling Point/Range:        No data available
  Flash Point:        No data available
  Explosive limits
    No data available
  Lower:
  Upper:        No data available
  Density:        0.99
  Solubility:        No data available

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.
  Reactivity:        No special reactivity has been reported.
  Conditions to avoid:        Air-sensitive
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  Products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available
  Skin corrosion/irritation: No data available
  Serious eye        No data available
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available
    No data available
  NTP =
  Reproductive toxicity:        No data available

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available
  Crustacea:        No data available
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available
  Soil adsorption (Koc):        No data available
  Henry's Law        No data available
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        8: Corrosive.
  UN-No:        2735
  Proper shipping name:        Polyamines, liquid, corrosive, n.o.s.
  Packing group:        III

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

(3S)-(+)-1-苄基-3-(甲氨基)吡咯烷海关数据

中国海关编码：2933990090

概述：: 2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0%
申报要素：: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

(3S)-(+)-1-苄基-3-(甲氨基)吡咯烷分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值（XlogP）:1.5

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积15.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:164

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

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