CAS 200214-48-8 tert-butyl N-(4-chloro-3-(hydroxymethyl)phenyl)carbamate (HCID 54223790)

基本情報

CAS: 200214-48-8
標準SMILES: CC(C)(C)OC(=O)Nc1ccc(Cl)c(CO)c1
InChIKey: QELHOZLOTUGMOU-UHFFFAOYSA-N
分子式: C12H16ClNO3
平均分子量: 257.71 g/mol

名称と識別子

優先名称: tert-butyl N-(4-chloro-3-(hydroxymethyl)phenyl)carbamate
IUPAC: tert-butyl N-[4-chloro-3-(hydroxymethyl)phenyl]carbamate

名称と別名

200214-48-8tert-butyl N-[4-chloro-3-(hydroxymethyl)phenyl]carbamatetert-butyl N-(4-chloro-3-(hydroxymethyl)phenyl)carbamateRefChem:896124897-721-3tert-Butyl (4-chloro-3-(hydroxymethyl)phenyl)carbamatetert-butyl 4-chloro-3-(hydroxymethyl)phenylcarbamateSCHEMBL3439957QELHOZLOTUGMOU-UHFFFAOYSA-N2-chloro-5-(boc-amino)benzyl alcoholDB-309368EN300-1878325

名称をさらに表示

1,1-dimethylethyl [4-chloro-3-(hydroxymethyl)phenyl]carbamate

データベース識別子

CAS: 200214-48-8
PubChem CID: 54223790
EC Number: 897-721-3

物性

構造計算による物性

XLogP: 2.2
極性表面積: 58.6 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 265

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.