产品供求
- 您当前位置:
- 首页
- 产品数据
- 2-噻吩羧酸,3-氨基-2,5-二氢-4-甲基-,甲基酯,1-
2-噻吩羧酸,3-氨基-2,5-二氢-4-甲基-,甲基酯,1-
2-噻吩羧酸,3-氨基-2,5-二氢-4-甲基-,甲基酯,1- 基本信息
- 中文名称:
- 2-噻吩羧酸,3-氨基-2,5-二氢-4-甲基-,甲基酯,1-
- 中文别名:
- 2-噻吩羧酸,3-氨基-2,5-二氢-4-甲基-,甲基酯,1-;
(6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone
- 英文名称:
- Methanone,(6-methyl-3-cyclohexen-1-yl)-1-piperidinyl-
- 英文别名:
- (6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone;
Methanone,(6-methyl-3-cyclohexen-1-yl)-1-piperidinyl-
- CAS No.:
- 72299-02-6
- 分 子 式:
- C13H21NO
- 分 子 量:
- 207.35
- 精确分子量:
- 207.16200
- PSA:
- 20.31000
- 安全术语:
- A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx.
- 分子结构式:
-
- SDS:
- 查看
2-噻吩羧酸,3-氨基-2,5-二氢-4-甲基-,甲基酯,1- 物化性质
- 密度:
- 1.013g/cm3
- 沸点:
- 338.4ºC at 760 mmHg
- 闪点:
- 139.5ºC
- 折射率:
- 1.509
2-噻吩羧酸,3-氨基-2,5-二氢-4-甲基-,甲基酯,1- 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TN1261000
- CHEMICAL NAME :
- Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
- CAS REGISTRY NUMBER :
- 72299-02-6
- LAST UPDATED :
- 199206
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C13-H21-N-O
- MOLECULAR WEIGHT :
- 207.35
- WISWESSER LINE NOTATION :
- T6NTJ AV- DL6UTJ E1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161)
Formerly U.S. Clearinghouse for Scientific & Technical Information.
Volume(issue)/page/year: AD-A075-205
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161)
Formerly U.S. Clearinghouse for Scientific & Technical Information.
Volume(issue)/page/year: AD-A075-205
** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >4300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161)
Formerly U.S. Clearinghouse for Scientific & Technical Information.
Volume(issue)/page/year: AD-A075-205
2-噻吩羧酸,3-氨基-2,5-二氢-4-甲基-,甲基酯,1- 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):2.5
2.氢键供体数量:0
3.氢键受体数量:1
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:20.3
7.重原子数量:15
8.表面电荷:0
9.复杂度:253
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:2
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