(3S)-(+)-3-Aminopyrrolidine Dihydrochloride

HCID 13500644CAS 116183-83-6

基本情報

標準SMILES: Cl.Cl.N[C@H]1CCNC1
InChIKey: NJPNCMOUEXEGBL-FHNDMYTFSA-N
分子式: C4H12Cl2N2
平均分子量: 159.05 g/mol
単同位体質量: 158.03775374

名称と識別子

優先名称: (3S)-(+)-3-Aminopyrrolidine Dihydrochloride
IUPAC: (3S)-pyrrolidin-3-amine;dihydrochloride

名称と別名

(3S)-(+)-3-Aminopyrrolidine DihydrochlorideRefChem:401161672-736-6116183-83-6(S)-(+)-3-Aminopyrrolidine dihydrochloride(S)-pyrrolidin-3-amine dihydrochloride(3S)-pyrrolidin-3-amine dihydrochloride(3S)-pyrrolidin-3-amine;dihydrochlorideMFCD00070605(3S)-3-aminopyrrolidine dihydrochloride3-Pyrrolidinamine, hydrochloride (1:2), (3S)-AC-6713

名称をさらに表示

AS-79988(S)-PYRROLIDIN-3-YLAMINE DIHYDROCHLORIDE3-Pyrrolidinamine, dihydrochloride, (3S)-(R)-(-)-3-Aminopyrrolidine dihydrochloride(S-(+)-3-Aminopyrrolidine dihydrochlorideSCHEMBL4717529DTXSID20542331(S)-pyrrolidin-3-aminedihydrochloride

データベース識別子

CAS: 116183-83-6
PubChem CID: 13500644
DTXSID: DTXSID20542331
EC Number: 672-736-6

物性

構造計算による物性

極性表面積: 38.1 Å²
水素結合供与体数: 4
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 44.8

安全と法規制

GHS分類

GHS Classification · 4 件

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)