2-(4-Biphenyl)ethylamine

HCID 28210CAS 17027-51-9

기본 정보

표준 SMILES: NCCc1ccc(-c2ccccc2)cc1
InChIKey: WHPLBPSDTIZFSX-UHFFFAOYSA-N
분자식: C14H15N
평균 분자량: 197.27 g/mol
단동위원소 질량: 197.12044948

이름 및 식별자

우선 이름: 2-(4-Biphenyl)ethylamine
IUPAC: 2-(4-phenylphenyl)ethanamine
영어명: 2-(4-Biphenyl)ethylamine
분자식: C14H15N
분자량: 197.28

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 164

물리화학적 성질

녹는점: 50 · 50-54 °C (lit.)
끓는 점: 144 °C · 144°C 5mm
밀도: 1.031 · 1.031±0.06 g/cm3(Predicted)
인화점: 210 °F · 210 °F
산도 계수 (pKa): 9.81 · 9.81±0.10(Predicted)
물리적 상태: solid
수용성: 물에 불용성.
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.