メチル(1-フェニルエチル)アミン

N-Methyl-1-phenylethylamine

HCID 577403CAS 32512-24-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CNC(C)c1ccccc1
InChIKey: RCSSHZGQHHEHPZ-UHFFFAOYSA-N
分子式: C9H13N
平均分子量: 135.21 g/mol
単同位体質量: 135.10479942

概要

N-methyl-1-phenylethylamine has been reported in Vachellia rigidula with data available.

名称と識別子

優先名称: N-Methyl-1-phenylethylamine
IUPAC: N-methyl-1-phenylethanamine
現地名: メチル(1-フェニルエチル)アミン
英語名: N-methyl-1-phenethylamine
分子式: C9H13N
分子量: 135.21

名称と別名

N-Methyl-1-phenylethanamine32512-24-6methyl(1-phenylethyl)amineN-methyl-1-phenylethylamineMapea8V1UF8Q1P1N,alpha-Dimethylbenzenemethanaminen,alpha-dimethylbenzylaminealpha,N-DimethylbenzylamineBenzenemethanamine, N,.alpha.-dimethyl-Benzylamine, N,alpha-dimethyl-DTXSID901342325

名称をさらに表示

メチル(1-フェニルエチル)アミンN-methyl-1-phenethylamineBenzenemethanamine, N,α-dimethyl-N-Methyl-1-phenylethylamine hydrochloride

.ALPHA.,N-DIMETHYLBENZYLAMINEN,.ALPHA.-DIMETHYLBENZYLAMINEBenzenemethanamine, N,alpha-dimethyl-BENZYLAMINE, N,.ALPHA.-DIMETHYL-N,.ALPHA.-DIMETHYLBENZENEMETHANAMINERefChem:830330DTXCID70881186823-889-4

データベース識別子

CAS: 32512-24-6
PubChem CID: 577403
DTXSID: DTXSID901342325
UNII: 8V1UF8Q1P1
EC Number: 823-889-4
Nikkaji: J544.963D

物性

構造計算による物性

XLogP: 1.7
極性表面積: 12 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: 2
重原子数: 10
形式電荷: 0
複雑度: 84.7

実験および物理化学的性質

Collision Cross Section138.1 Å² [M+Na]+

物理化学的性質

沸点: 178.7 · 178.7±9.0 °C(Predicted)
比重(密度): 0.911 · 0.911±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 9.77 · 9.77±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, 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.