(3R)-(+)-3-二甲氨基吡咯烷

(3R)-(+)-3-(Dimethylamino)pyrrolidine

HCID 2758521CAS 132958-72-6

子结构检索查找相似结构

基本信息

标准SMILES: CN(C)[C@@H]1CCNC1
InChIKey: AVAWMINJNRAQFS-ZCFIWIBFSA-N
分子式: C6H14N2
平均分子量: 114.19 g/mol
单同位素质量: 114.11569845

名称与标识

首选名称: (3R)-(+)-3-(Dimethylamino)pyrrolidine
IUPAC: (3R)-N,N-dimethylpyrrolidin-3-amine
中文名: (3R)-(+)-3-二甲氨基吡咯烷
英文名: (3R)-(+)-3-(Dimethylamino)pyrrolidine
分子式: C6H14N2
分子量: 114.19

名称与别名

(3R)-(+)-3-(Dimethylamino)pyrrolidineRefChem:400720626-139-2132958-72-6(R)-N,N-dimethylpyrrolidin-3-amine(R)-(+)-3-(Dimethylamino)pyrrolidine(R)-3-Dimethylaminopyrrolidine(3R)-N,N-dimethylpyrrolidin-3-amineMFCD00191347(3R)-N,N-Dimethyl-3-pyrrolidinamine(r)-3-(dimethylamino)pyrrolidine3-Pyrrolidinamine, N,N-dimethyl-, (3R)-

展开更多名称

N-二甲基-3-吡咯烷胺(R)-3-二甲基氨基吡咯烷(R)-3-(双甲氨基)吡咯烷(R)-(+)-3-二甲氨基吡咯烷(3R)-(+)-3-二甲氨基吡咯烷(R)-3-二甲基氨基吡咯烷二盐酸盐-(+)-3-二甲氨基吡咯烷双盐酸盐(R)-N,N-二甲基-3-吡咯烷胺(3R)-N,N-二甲基-3-吡咯烷胺(R)-(+)-3-二甲氨基吡咯烷,95%(3R)-NJACS-132958-72-6(3R)-(+)-3-(DIMETHYLR- N,N-diMethyl-3-PyrrolidinaMine(R)-DIMETHYL-PYRROLIDIN-3-YL-AMINE(3R)-DIMETHYL-PYRROLIDIN-3-YL-AMINE

(3r)-3-dimethylaminopyrrolidineSCHEMBL1326853-(R)-(dimethylamino)pyrrolidinedimethyl(r)-pyrrolidin-3-yl-amine(r)-n,n-dimethyl-3-pyrrolidinamineAC-25958AFH8VQ5JVSCHEMBL491774

数据库标识

CAS: 132958-72-6
PubChem CID: 2758521
DTXSID: DTXSID50374369
UNII: 8AFH8VQ5JV
EC Number: 626-139-2
Nikkaji: J382.976F

性质

结构计算性质

XLogP: 0
极性表面积: 15.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 8
形式电荷: 0
复杂度: 70.9

物理化学性质

沸点: 166 °C760 · 166 °C760 mm Hg(lit.)
密度: 0.899 g/mL · 0.899 g/mL at 25 °C(lit.)
折射率: 20 · n20/D 1.4650(lit.)
闪点: 125 °F · 125 °F
储存条件: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
形态: clear liquid
酸度系数(pKa): 9.93 · 9.93±0.10(Predicted)
颜色: Colorless to Light yellow
旋光度 (Optical Rotation): 20 · [α]20/D +14°, c = 1 in ethanol
敏感性: Air Sensitive
InChI: InChI=1S/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3/t6-/m1/s1
InChIKey: AVAWMINJNRAQFS-ZCFIWIBFSA-N
SMILES: N1CC[C@@H](N(C)C)C1
CAS 数据库: 132958 · 132958-72-6(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全数据

wgk: 2
包装类别: III
危险等级: 3
存储类别: 3 - Flammable liquids
安全说明: 26-36/39-39-36
海关编码: 29339900
危险品标志: Xn
危险性类别: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
危险类别码: 10-22-37/38-41-38-37
危险品运输编号: UN 1993 3/PG 3

化学与工业

上下游产品信息

上游原料

(S)-3-羟基-1-苄基吡咯烷钯碳二甲胺盐酸盐对甲苯磺酰氯吡啶

试剂价格

D2149 · 1G: (3R)-(+)-3-(二甲氨基)吡咯烷(3R)-(+)-3-(Dimethylamino)pyrrolidine — 190元
XW0213295872603 · 5g: (R)-(+)-3-(二甲氨基)吡咯烷(3R)-(+)-3-(Dimethylamino)pyrrolidine — 886元