1,2-디페닐에틸아민

1,2-Diphenylethylamine

HCID 26482CAS 25611-78-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(Cc1ccccc1)c1ccccc1
InChIKey: DTGGNTMERRTPLR-UHFFFAOYSA-N
분자식: C14H15N
평균 분자량: 197.27 g/mol
단동위원소 질량: 197.12044948

이름 및 식별자

우선 이름: 1,2-Diphenylethylamine
IUPAC: 1,2-diphenylethanamine
현지명: 1,2-디페닐에틸아민
영어명: 1,2-Diphenylethylamine
분자식: C14H15N
분자량: 197.28

이름 및 동의어

1,2-Diphenylethylamine1-Amino-1,2-diphenylethanealpha-Phenylbenzeneethanaminealpha,beta-DiphenylethylamineBenzeneethanamine, alpha-phenyl-EINECS 247-126-4Benzeneethanamine, .alpha.-phenyl-RefChem:72028Benzeneethanamine, alpha-phenyl-(9CI)247-126-4DTGGNTMERRTPLR-UHFFFAOYSA-N1,2-Diphenylethanamine

이름 더 보기

1,2-디페닐에틸아민AKOS BC-0994TIMTEC-BB SBB000367α-Benzylbenzylamine1,2-DIPHENYLETHYLAMIα-Phenylphenethylamineα-Phenylbenzeneethanamine

25611-78-31,2-Diphenylethan-1-Aminealpha-BenzylbenzylamineMFCD00008063alpha-Phenylphenethylamine1,2-Diphenyl-ethylaminePhenethylamine, alpha-phenyl-1,2diphenylethylamine

데이터베이스 식별자

CAS: 25611-78-3
PubChem CID: 26482
DTXSID: DTXSID20871350
ChEMBL: CHEMBL351811
EC Number: 247-126-4
Nikkaji: J79.059A

물성

구조 계산 물성

XLogP: 2.8
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: 166

물리화학적 성질

끓는 점: 310 · 310-311 °C750 mm Hg(lit.)
밀도: 1.02 g/mL · 1.02 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.58(lit.)
인화점: 230 °F · >230 °F
산도 계수 (pKa): 8.78 · 8.78±0.10(Predicted)
물리적 상태: liquid
InChI: 1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
InChIKey: DTGGNTMERRTPLR-UHFFFAOYSA-N
SMILES: NC(Cc1ccccc1)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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.