2-(1-Benzylpyrrolidin-3-yl)acetonitrile

HCID 12364519CAS 55278-09-6

基本情報

標準SMILES: N#CCC1CCN(Cc2ccccc2)C1
InChIKey: HYBXAXKMVJEWHM-UHFFFAOYSA-N
分子式: C13H16N2
平均分子量: 200.28 g/mol
単同位体質量: 200.13134851

名称と識別子

優先名称: 2-(1-Benzylpyrrolidin-3-yl)acetonitrile
IUPAC: 2-(1-benzylpyrrolidin-3-yl)acetonitrile

名称と別名

2-(1-Benzylpyrrolidin-3-yl)acetonitrileRefChem:450868845-119-655278-09-6(1-Benzyl-pyrrolidin-3-yl)-acetonitrile(1-benzylpyrrolidin-3-yl)acetonitrileSCHEMBL5968982DTXSID80494362HYBXAXKMVJEWHM-UHFFFAOYSA-NFCA27809(1-benzyl-3-pyrrolidinyl)acetonitrileAKOS005067807

名称をさらに表示

(3RS)-1-benzyl-3-cyanomethyl pyrrolidineCS-0251028G23892EN300-5323174

データベース識別子

CAS: 55278-09-6
PubChem CID: 12364519
DTXSID: DTXSID80494362
EC Number: 845-119-6

物性

構造計算による物性

XLogP: 1.8
極性表面積: 27 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 234

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.