3-羟基吡咯烷

4-Hydroxypyrrolidine

HCID 98210CAS 40499-83-0

子结构检索查找相似结构

基本信息

标准SMILES: OC1CCNC1
InChIKey: JHHZLHWJQPUNKB-UHFFFAOYSA-N
分子式: C4H9NO
平均分子量: 87.12 g/mol
单同位素质量: 87.06841391

概述

structure in first source

名称与标识

首选名称: 4-Hydroxypyrrolidine
IUPAC: pyrrolidin-3-ol
中文名: 3-羟基吡咯烷
英文名: 3-Pyrrolidinol
分子式: C4H9NO
分子量: 87.12

名称与别名

4-hydroxypyrrolidineRefChem:871021Pyrrolidin-3-ol3-Pyrrolidinol40499-83-03-HydroxypyrrolidineDL-3-PyrrolidinolMFCD00005256DL-3-Hydroxypyrrolidinerac-pyrrolidin-3-ol3-hydroxy pyrrolidine3-hydroxyl-pyrrolidine

展开更多名称

吡咯烷醇3-吡咯烷醇3-羟基吡咯烷吡咯烷-3-醇DL-3-吡咯烷醇3-吡咯烷醇,98%3-吡咯烷醇,98%DL-3-羟基吡咯烷R-3-羟基四氢吡咯烷3-吡咯烷醇, 95.0%(GC&TPyrrolidin-3-oPyrrolidine-3-olDL-Pyrrolidin-3-ol3-Pyrrolidinol 98%3-HYDROXYPYRROLINE3-pyrrolidinol (DL)

4-hydroxy-2-pyrrolidineNSC89294(r/s)-3-hydroxypyrrolidineNSC-89294PB32171R-(+)-3-Pyrrolidinol(RS)-3-hydroxypyrrolidinepyrrolidin-3ol

数据库标识

CAS: 40499-83-0
PubChem CID: 98210
DTXSID: DTXSID501317332
ChEMBL: CHEMBL118705
EC Number: 254-944-5
Nikkaji: J326C

性质

结构计算性质

XLogP: -0.7
极性表面积: 32.3 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 0
重原子: 6
形式电荷: 0
复杂度: 46.8

实验与物化性质

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

Physical DescriptionClear yellow liquid; [Sigma-Aldrich MSDS]

物理化学性质

沸点: 108 · 108-110 °C8 mm Hg(lit.)
密度: 1.076 g/mL · 1.076 g/mL at 20 °C(lit.)
折射率: 20 · n20/D 1.49(lit.)
闪点: 230 °F · >230 °F
储存条件: Keep in dark place,Sealed in dry,Room Temperature
酸度系数(pKa): 14.91 · 14.91±0.20(Predicted)
形态: Liquid
颜色: Clear colorless to yellow
BRN: 102542 · 102542
InChI: 1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2
InChIKey: JHHZLHWJQPUNKB-UHFFFAOYSA-N
SMILES: OC1CCNC1
CAS 数据库: 40499 · 40499-83-0(CAS DataBase Reference)
NIST化学物质信息: 3 · 3-Pyrrolidinol(40499-83-0)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.