1-(2-Methylphenyl)ethan-1-amine

HCID 3391042

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基本情報

CAS: 42142-17-6
標準SMILES: Cc1ccccc1C(C)N
InChIKey: ZCDYTNZJBGSKFI-UHFFFAOYSA-N
分子式: C9H13N
平均分子量: 135.21 g/mol
単同位体質量: 135.10479942

名称と識別子

優先名称: 1-(2-Methylphenyl)ethan-1-amine
IUPAC: 1-(2-methylphenyl)ethanamine
英語名: 1-o-Tolylethylamine
分子式: C9H13N
分子量: 135.21

名称と別名

1-(2-methylphenyl)ethan-1-amineRefChem:422508843-056-91-(2-methylphenyl)ethanamine42142-17-61-(o-Tolyl)ethanamine1-o-Tolylethylamine[1-(2-methylphenyl)ethyl]amine1-o-tolylethanamineMFCD05215232Benzenemethanamine, alpha,2-dimethyl-, (alphaR)-Benzenemethanamine, alpha,2-dimethyl-, (alphaS)-

名称をさらに表示

α,2-DimethylbenzenemethanamineBenzenemethanamine, α,2-dimethyl-1-(2-Methylphenyl)ethanamine - [M92802](S)-1-(3-fluoro-4-(trifluoromethyl)phenyl)ethan-1-amine

1-(2-Methylphenyl)ethylaminealpha,2-DimethylbenzenemethanamineBenzenemethanamine, alpha,2-dimethyl-Benzenemethanamine, .alpha.,2-dimethyl-SCHEMBL143737SCHEMBL4244459SCHEMBL5900574SCHEMBL6785499

データベース識別子

CAS: 42142-17-6
PubChem CID: 3391042
DTXSID: DTXSID30392066
EC Number: 843-056-9
Nikkaji: J450.677D

物性

構造計算による物性

XLogP: 1.5
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 101

物理化学的性質

沸点: 55 · 55-57 °C(Press: 1 Torr)
比重(密度): 0.9736 g/cm3 · 0.9736 g/cm3
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Slightly), DMSO (Sparingly)
外見: Oil
酸解離定数(Pka): 9.22 · 9.22±0.10(Predicted)
色: Light Yellow to Light Beige

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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.