2-苯基吡咯烷

2-Phenylpyrrolidine

HCID 261892CAS 1006-64-0

子结构检索查找相似结构

基本信息

标准SMILES: c1ccc(C2CCCN2)cc1
InChIKey: JUTDHSGANMHVIC-UHFFFAOYSA-N
分子式: C10H13N
平均分子量: 147.22 g/mol
单同位素质量: 147.10479942

名称与标识

首选名称: 2-Phenylpyrrolidine
IUPAC: 2-phenylpyrrolidine
中文名: 2-苯基吡咯烷
英文名: 2-Phenylpyrrolidine
分子式: C10H13N
分子量: 147.22

名称与别名

2-PhenylpyrrolidineRefChem:478235674-604-3NSC 949611006-64-02-phenyl-pyrrolidinepyrrolidine, 2-phenyl-MFCD01631835rac-2-phenylpyrrolidine(RS)-2-phenyl-pyrrolidineOprea1_853234(2S)-2-phenylpyrrolidin-1-ium

展开更多名称

2-苯基吡咯2-苯基吡咯啉2-苯基吡咯烷AKOS BB-8859Pyrrolidine,2-Phenyl-2-PHENYLPYRROLIDINE 95%2-Phenyl-pyrrolidin 98%2-PHENYLPYRROLIDINE HCL(RS)-2-phenylpyrrolidine2-PHENYL-PYRROLIDINE >97%

AKOS000118067CS-W008926PS-3577SB15998SY063719Z223138744NSC94961NoName_3649

数据库标识

CAS: 1006-64-0
PubChem CID: 261892
DTXSID: DTXSID40903061
ChEMBL: CHEMBL369366
EC Number: 674-604-3
Nikkaji: J306.168J

性质

结构计算性质

XLogP: 1.8
极性表面积: 12 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 116

物理化学性质

熔点: 42 · 42-43 °C
沸点: 68 °C · 68°C
密度: 0.988 · 0.988±0.06 g/cm3(Predicted)
折射率: 1.539 · 1.5390
储存条件: 2 · 2-8°C(protect from light)
酸度系数(pKa): 10.13 · 10.13±0.10(Predicted)
形态: liquid
颜色: Colourless to light yellow
CAS 数据库: 1006 · 1006-64-0(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.