3-(Aminomethyl)phenol

HCID 735894CAS 73604-31-6

部分構造検索類似構造を探す

基本情報

標準SMILES: NCc1cccc(O)c1
InChIKey: JNZYADHPGVZMQK-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

3-(aminomethyl)phenol is an aromatic amine.

名称と識別子

優先名称: 3-(Aminomethyl)phenol
IUPAC: 3-(aminomethyl)phenol

名称と別名

3-(aminomethyl)phenol3-Hydroxybenzylamine73804-31-6RefChem:494150674-286-6811-485-073604-31-6Phenol, 3-(aminomethyl)-MFCD007989773-aminomethyl-phenol3-Aminomethyl phenol3-hydroxy-benzylamine

名称をさらに表示

CHEMBL4069065Oprea1_183112SCHEMBL138953CHEBI:125604DTXSID90902923m-hydroxybenzylamineJNZYADHPGVZMQK-UHphenol, 3-aminomethyl-

データベース識別子

CAS: 73604-31-6、73804-31-6
PubChem CID: 735894
DTXSID: DTXSID90902923
ChEMBL: CHEMBL4069065
ChEBI: CHEBI:125604
EC Number: 674-286-6、811-485-0
Nikkaji: J765.580K

物性

構造計算による物性

XLogP: 0.2
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 · 6 件

Danger

H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, 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.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]