2-(4-Methoxy-3-methylphenyl)ethan-1-amine

HCID 6484660CAS 18149-08-1

基本情報

標準SMILES: COc1ccc(CCN)cc1C
InChIKey: NBFFCNUWKJZAKU-UHFFFAOYSA-N
分子式: C10H15NO
平均分子量: 165.23 g/mol
単同位体質量: 165.1153641

名称と識別子

優先名称: 2-(4-Methoxy-3-methylphenyl)ethan-1-amine
IUPAC: 2-(4-methoxy-3-methylphenyl)ethanamine
英語名: 2-(3-Chloro-4-methoxy-phenyl)-ethylamine
分子式: C10H15NO
分子量: 165.23

名称と別名

2-(4-methoxy-3-methylphenyl)ethan-1-amineRefChem:457886886-801-318149-08-12-(4-Methoxy-3-methyl-phenyl)-ethylamine2-(4-methoxy-3-methylphenyl)ethanamine2-(4-Methoxy-3-methylphenyl)ethylamineBenzeneethanamine, 4-methoxy-3-methyl-SCHEMBL1467270SCHEMBL29559710DTXSID70424471NBFFCNUWKJZAKU-UHFFFAOYSA-N

名称をさらに表示

2-(3-Chloro-4-methoxy-phenyl)-ethylamine

3-methyl-4-methoxyphenylethylamineTAA14908AKOS0003016632-(3-methyl-4-methoxyphenyl)ethylamineST50401581EN300-1852517

データベース識別子

CAS: 18149-08-1
PubChem CID: 6484660
DTXSID: DTXSID70424471
EC Number: 886-801-3

物性

構造計算による物性

XLogP: 1.6
極性表面積: 35.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 127

物理化学的性質

沸点: 245 · 245-250 °C(Press: 710 Torr)
比重(密度): 0.994 · 0.994±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.97 · 9.97±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.