N-benzyl-N-methylcarbamoyl chloride

HCID 10464985CAS 32366-02-2

基本情報

標準SMILES: CN(Cc1ccccc1)C(=O)Cl
InChIKey: HIRNDYDRQNZASU-UHFFFAOYSA-N
分子式: C9H10ClNO
平均分子量: 183.63 g/mol

名称と識別子

優先名称: N-benzyl-N-methylcarbamoyl chloride
IUPAC: N-benzyl-N-methylcarbamoyl chloride
英語名: N-benzyl-N-methylcarbamoyl chloride
分子式: C9H10ClNO
分子量: 183.63

名称と別名

N-benzyl-N-methylcarbamoyl chloride32366-02-2benzyl(methyl)carbamic chlorideSCHEMBL3369887Benzyl-methyl-carbamoyl chlorideN-benzyl-N-methylcarbamoylchlorideN-methyl-N-benzylcarbamoyl chlorideHBA36602N-benzyl-N-methyl-carbamoyl chlorideAKOS016359859Carbamic chloride, methyl(phenylmethyl)-DB-108532

名称をさらに表示

Benzylmethylcarbamoyl chlorideCarbamic chloride, N-methyl-N-(phenylmethyl)-

CS-0235076EN300-152559G53225

データベース識別子

CAS: 32366-02-2
PubChem CID: 10464985
EC Number: 694-490-9
Nikkaji: J525.739E

物性

構造計算による物性

XLogP: 2.3
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 155

物理化学的性質

沸点: 302 · 302.0±21.0 °C(Predicted)
比重(密度): 1.188 · 1.188±0.06 g/cm3(Predicted)
酸解離定数(Pka): -1.88 · -1.88±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.