2-(4-ビフェニル)エチルアミン

2-(4-Biphenyl)ethylamine

HCID 28210CAS 17027-51-9

部分構造検索類似構造を探す

基本情報

標準SMILES: NCCc1ccc(-c2ccccc2)cc1
InChIKey: WHPLBPSDTIZFSX-UHFFFAOYSA-N
分子式: C14H15N
平均分子量: 197.27 g/mol
単同位体質量: 197.12044948

名称と識別子

優先名称: 2-(4-Biphenyl)ethylamine
IUPAC: 2-(4-phenylphenyl)ethanamine
現地名: 2-(4-ビフェニル)エチルアミン
英語名: 2-(4-Biphenyl)ethylamine
分子式: C14H15N
分子量: 197.28

名称と別名

2-(4-Biphenyl)ethylamine17027-51-9[1,1'-Biphenyl]-4-ethanamineDTXSID60274846(1,1'-Biphenyl)-4-ethanamineRefChem:456820DTXCID60226300625-774-22-(4-phenylphenyl)ethanamine2-([1,1'-Biphenyl]-4-yl)ethanamineMFCD013107862-(4-phenylphenyl)ethylamine

名称をさらに表示

2-(4-ビフェニル)エチルアミンRARECHEM AL BW 03684-Phenylphenethylamine1,1'-Biphenyl]-4-ethanamine2-(4-Biphenyl)ethylamine 98%2-(4-Biphenylyl)ethylamine, 98%

2-{[1,1'-biphenyl]-4-yl}ethan-1-amine2-(4-Biphenylyl)ethylamine2-([1,1'-Biphenyl]-4-yl)ethan-1-amine4-(2-aminoethyl)biphenyl2-(4-Phenylphenyl)Ethan-1-Amine2-biphenylethylamine4-biphenylethylamine4-biphenylethyl amine

データベース識別子

CAS: 17027-51-9
PubChem CID: 28210
DTXSID: DTXSID60274846
EC Number: 625-774-2
Nikkaji: J980.397A

物性

構造計算による物性

XLogP: 3
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: 3
重原子数: 15
形式電荷: 0
複雑度: 164

物理化学的性質

融点: 50 · 50-54 °C (lit.)
沸点: 144 °C · 144°C 5mm
比重(密度): 1.031 · 1.031±0.06 g/cm3(Predicted)
闪点: 210 °F · 210 °F
酸解離定数(Pka): 9.81 · 9.81±0.10(Predicted)
外見: solid
水溶解度: 水に不溶。
InChI: 1S/C14H15N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11,15H2
InChIKey: WHPLBPSDTIZFSX-UHFFFAOYSA-N
SMILES: NCCc1ccc(cc1)-c2ccccc2

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.