N -亚硝基- L -脯氨酸
- 中文名称:
- N -亚硝基- L -脯氨酸
- 中文别名:
- N -亚硝基- L -脯氨酸;
N-亚硝基-l-脯氨酸
- 英文名称:
- L-Proline, 1-nitroso-
- 英文别名:
- N-NITROSO-L-PROLINE;
nitrosoproline;
no-pro;
1-nitroso-l-proline;
L-nitrosoproline;
1-Nitrosoproline;
(S)-1-nitrosopyrrolidine-2-carboxylic acid;
L-Proline,1-nitroso;
(2S)-1-nitrosoproline;
L-Proline,nitroso;
N-NITROSO-PROLINE;
NPRO
- CAS No.:
- 7519-36-0
- 分 子 式:
-
C5H8N2O3
- 分 子 量:
- 144.15
- 精确分子量:
- 144.05300
- PSA:
- 69.97000
- BRN:
- 473006
- InChI:
- The Key: WLKPHJWEIIAIFW-UHFFFAOYSA-N3
- 安全术语:
- Poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Many nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also NITROSO COMPOUNDS.
- 分子结构式:
-
- SDS:
- 查看
N -亚硝基- L -脯氨酸 物化性质
- 密度:
- 1.572g/cm3
- 熔点:
- 108-109ºC
- 沸点:
- 391.692ºC at 760 mmHg
- 闪点:
- 190.688ºC
- 折射率:
- 1.629
- 稳定性相关:
1. 存在于烟叶中。
- 其它信息:
1. 熔点(ºC):108~109
N -亚硝基- L -脯氨酸 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TW3680000
- CHEMICAL NAME :
- Proline, N-nitroso-, L-
- CAS REGISTRY NUMBER :
- 7519-36-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C5-H8-N2-O3
- MOLECULAR WEIGHT :
- 144.15
- WISWESSER LINE NOTATION :
- T5NTJ ANO BVQ -L
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 203 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes
Gastrointestinal - other changes
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc.,
Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
20037) V.6- 1963- Volume(issue)/page/year: 16,583,1973
** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 770 mg/kg/8W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Gastrointestinal - tumors
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc.,
Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
20037) V.6- 1963- Volume(issue)/page/year: 16,583,1973
*** REVIEWS ***
IARC Cancer Review:Animal Inadequate Evidence
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 17,303,1978
IARC Cancer Review:Human No Adequate Data
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 17,303,1978
IARC Cancer Review:Group 3
IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49
Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year:
7,56,1987
N -亚硝基- L -脯氨酸 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:32.60
2、 摩尔体积(cm3/mol):91.7
3、 等张比容(90.2K):263.4
4、 表面张力(dyne/cm):68.1
5、 极化率(10-24cm3):12.92
计算化学数据
1.疏水参数计算参考值(XlogP):0.3
2.氢键供体数量:1
3.氢键受体数量:5
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积70
7.重原子数量:10
8.表面电荷:0
9.复杂度:159
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