4-羟基-1-苯乙基哌啶-4-甲腈
- 中文名称:
- 4-羟基-1-苯乙基哌啶-4-甲腈
- 中文别名:
- 4-羟基-1-苯乙基哌啶-4-甲腈;
4-羟基-1-(2-苯基乙基)哌啶-4-甲腈;
4-羟基-1-苯乙基哌啶-4-氰
- 英文名称:
- 4-Piperidinecarbonitrile,4-hydroxy-1-(2-phenylethyl)-
- 英文别名:
- 4-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile;
4-hydroxy-1-phenethyl-piperidine-4-carbonitrile;
EINECS 245-891-9;
1-(2-Phenylethyl)-4-cyano-4-piperidinol;
4-Hydroxy-1-phenethyl-4-piperidinecarbonitrile;
ISONIPECOTONITRILE,4-HYDROXY-1-PHENETHYL;
N-Phenethyl-4-hydroxy-4-cyan-piperidin
- CAS No.:
- 23804-59-3
- 分 子 式:
-
C14H18N2O
- 分 子 量:
- 230.30552
- 精确分子量:
- 230.14200
- PSA:
- 47.26000
- EINECS:
- 245-891-9
- InChI:
- InChI=1/C14H18N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-11H23
- 分子结构式:
-
- SDS:
- 查看
4-羟基-1-苯乙基哌啶-4-甲腈 物化性质
- 密度:
- 1.14g/cm3
- 沸点:
- 419.1ºC at 760mmHg
- 闪点:
- 207.2ºC
- 折射率:
- 1.582
- 蒸汽压:
- 9.01E-08mmHg at 25°C
4-羟基-1-苯乙基哌啶-4-甲腈 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NS6340000
- CHEMICAL NAME :
- Isonipecotonitrile, 4-hydroxy-1-phenethyl-
- CAS REGISTRY NUMBER :
- 23804-59-3
- BEILSTEIN REFERENCE NO. :
- 0477606
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H18-N2-O
- MOLECULAR WEIGHT :
- 230.34
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 63 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK)
V.1-33, 1946-68. For publisher information, see BJPCBM.
Volume(issue)/page/year: 17,433,1961
4-羟基-1-苯乙基哌啶-4-甲腈 海关数据
中国海关编码:2933399090
- 概述:
- 2933399090. 其他结构含非稠合吡啶环的化合物. 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:
- 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-羟基-1-苯乙基哌啶-4-甲腈 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):1.7
2.氢键供体数量:1
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:47.3
7.重原子数量:17
8.表面电荷:0
9.复杂度:280
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