2-(Aminomethyl)phenol

HCID 70267CAS 50312-64-6

基本情報

標準SMILES: NCc1ccccc1O
InChIKey: KPRZOPQOBJRYSW-UHFFFAOYSA-N
分子式: C7H9NO
平均分子量: 123.15 g/mol
単同位体質量: 123.06841391

概要

2-(aminomethyl)phenol is under investigation in clinical trial NCT03556319 (2-HOBA: Multiple Dosing Study in Older Adults).

名称と識別子

優先名称: 2-(Aminomethyl)phenol
IUPAC: 2-(aminomethyl)phenol
英語名: (aminomethyl)phenol
分子式: C7H9NO
分子量: 123.15246

名称と別名

2-(Aminomethyl)phenol932-30-92-hydroxybenzylamine2-HOBA696R5N4NRMNSC-127870DTXSID70902921RefChem:459608DTXCID40869835213-249-7Salicylamineo-hydroxybenzylamine

名称をさらに表示

(Aminomethyl)phenol2-aminomethylphenolMFCD0087049850312-64-6NSC 1278702-HYDROXYLBENZYLAMINESCHEMBL110156CS-D1655

データベース識別子

CAS: 50312-64-6、932-30-9
PubChem CID: 70267
DTXSID: DTXSID70902921
ChEMBL: CHEMBL155572、CHEMBL3114402
UNII: 696R5N4NRM
EC Number: 213-249-7、256-534-1
Nikkaji: J298.514D

物性

構造計算による物性

XLogP: 0.5
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 85

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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.