(3,4,5,6-四氢-2H-氮杂革-7-基氨基)乙酸
- 中文名称:
- (3,4,5,6-四氢-2H-氮杂革-7-基氨基)乙酸
- 中文别名:
- (3,4,5,6-四氢-2H-氮杂革-7-基氨基)乙酸;
2-(4,5,6,7-四氢-3H-氮杂卓-2-基氨基)乙酸;
N-(3,4,5,6-四氢-2H-氮杂卓-7-基)甘氨酸;
甘氨酸,N-(3,4,5,6-四氢-2H-氮杂卓-7-基)-
- 英文名称:
- Glycine,N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-
- 英文别名:
- 2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid;
N-(3'H-4',5',6',7'-tetrahydroazepin-2'-yl)aminoacetic acid;
Glycine,N-(3,4,5,6-tetrahydro-2H-azepin-7-yl);
BB_NC-2584;
N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine;
(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid
- CAS No.:
- 90152-88-8
- 分 子 式:
-
C8H14N2O2
- 分 子 量:
- 0
- 精确分子量:
- 170.10600
- PSA:
- 61.69000
- InChI:
- The Key: ZZKQYXZXRHAHKH-UHFFFAOYSA-N3
- 分子结构式:
-

- SDS:
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(3,4,5,6-四氢-2H-氮杂革-7-基氨基)乙酸 物化性质
- 密度:
- 1.24g/cm3
- 沸点:
- 398.8ºC at 760 mmHg
- 折射率:
- 1.567
(3,4,5,6-四氢-2H-氮杂革-7-基氨基)乙酸 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MC1114000
- CHEMICAL NAME :
- Glycine, N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-
- CAS REGISTRY NUMBER :
- 90152-88-8
- LAST UPDATED :
- 199312
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H14-N2-O2
- MOLECULAR WEIGHT :
- 170.24
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation
of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1-
1967- Volume(issue)/page/year: 21,842,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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: 14,40,1971
(3,4,5,6-四氢-2H-氮杂革-7-基氨基)乙酸 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):-0.2
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:2
6.拓扑分子极性表面积:61.7
7.重原子数量:12
8.表面电荷:0
9.复杂度:190
10.同位素原子数量:0
11.确定原子立构中心数量:0
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
(3,4,5,6-四氢-2H-氮杂革-7-基氨基)乙酸 上游产品