4-Benzyl-2-(chloromethyl)morpholine

HCID 2801562CAS 40987-25-5

基本情報

標準SMILES: ClCC1CN(Cc2ccccc2)CCO1
InChIKey: GVWRZZNYCOTWNN-UHFFFAOYSA-N
分子式: C12H16ClNO
平均分子量: 225.71 g/mol

名称と識別子

優先名称: 4-Benzyl-2-(chloromethyl)morpholine
IUPAC: 4-benzyl-2-(chloromethyl)morpholine

名称と別名

4-benzyl-2-(chloromethyl)morpholineRefChem:518458692-342-840987-25-54-Benzyl-2-chloromethyl-morpholine2-Chloromethyl-4-benzylmorpholineMFCD02681886Morpholine, 2-(chloromethyl)-4-(phenylmethyl)-2-(chloromethyl)-4-(phenylmethyl)morpholine3-(Chloromethyl)-4-(phenylmethyl)morpholineSCHEMBL7357294-benzyl-2-chloromethylmorpholine

名称をさらに表示

BUTTPARK 85\12-31GVWRZZNYCOTWNN-UHFFFAOYSA-N2-chloromethyl-4-benzyl morpholine2-chloromethyl-4-benzyl-morpholine4-benzyl-2-chloromethyl morpholine2-(chloromethyl)-4-benzylmorpholineSBB054965AKOS000122911

データベース識別子

CAS: 40987-25-5
PubChem CID: 2801562
EC Number: 692-342-8

物性

構造計算による物性

XLogP: 2
極性表面積: 12.5 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: 182

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.