海关代码：

29224995

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R36/37/38

安全说明：

22-24/25-37/39-45-36/37/39-27-26

危险标志：

C: Corrosive;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

AY7535000

CHEMICAL NAME :

Alanine, phenyl-, L-

CAS REGISTRY NUMBER :

63-91-2

LAST UPDATED :

199706

DATA ITEMS CITED :

18

MOLECULAR FORMULA :

C9-H11-N-O2

MOLECULAR WEIGHT :

165.21

WISWESSER LINE NOTATION :

QVYZ1R -L

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

5287 mg/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>1322 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

276 gm/kg/13W-C

TOXIC EFFECTS :

Behavioral - alteration of operant conditioning Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

220 gm/kg

SEX/DURATION :

male 2 week(s) pre-mating female 2 week(s) pre-mating - 3 week(s) post-birth

TOXIC EFFECTS :

Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

160 gm/kg

SEX/DURATION :

male 2 week(s) pre-mating female 2 week(s) pre-mating - 8 day(s) post-birth

TOXIC EFFECTS :

Reproductive - Effects on Newborn - behavioral

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

192 gm/kg

SEX/DURATION :

male 2 week(s) pre-mating female 2 week(s) pre-mating - 15 day(s) post-birth

TOXIC EFFECTS :

Reproductive - Effects on Newborn - physical

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

21750 mg/kg

SEX/DURATION :

female 15-19 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - other effects to embryo

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

30 gm/kg

SEX/DURATION :

female 10-14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Effects on Newborn - behavioral

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

7930 mg/kg

SEX/DURATION :

female 8-11 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

1980 mg/kg

SEX/DURATION :

female 9 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

2640 mg/kg

SEX/DURATION :

female 10 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - other effects to embryo

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

6048 mg/kg

SEX/DURATION :

female 8-11 day(s) after conception

TOXIC EFFECTS :

Reproductive - Maternal Effects - other effects Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Effects on Newborn - biochemical and metabolic

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

30 mg/kg

SEX/DURATION :

female 3 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Maternal Effects - uterus, cervix, vagina

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

33600 mg/kg

SEX/DURATION :

female 1-24 week(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - behavioral

MUTATION DATA

TYPE OF TEST :

Sister chromatid exchange

TEST SYSTEM :

Human Lymphocyte

DOSE/DURATION :

10 mg/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 280,279,1992 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5534 No. of Facilities: 792 (estimated) No. of Industries: 4 No. of Occupations: 14 No. of Employees: 19901 (estimated) No. of Female Employees: 14903 (estimated)

分子结构数据

 1、   摩尔折射率：45.49

2、   摩尔体积（cm³/mol）：137.4

3、   等张比容（90.2K）：371.8

4、   表面张力（dyne/cm）：53.5

5、   极化率（10^-24cm³）：18.03

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:2

3.氢键受体数量:3

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63.3

7.重原子数量:12

8.表面电荷:0

9.复杂度:153

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

• 
  苯丙氨酸红外图谱(IR1)
• 
  苯丙氨酸红外图谱(IR2)
• 
  苯丙氨酸质谱(MS)
• 
  苯丙氨酸核磁图(¹³CNMR)
• 
  苯丙氨酸Raman光谱
• 
  苯丙氨酸核磁图(¹HNMR)