N-benzyl-1-phenylethylamine

HCID 519427

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3193-62-2
표준 SMILES: CC(NCc1ccccc1)c1ccccc1
InChIKey: ZYZHMSJNPCYUTB-UHFFFAOYSA-N
분자식: C15H17N
평균 분자량: 211.3 g/mol
단동위원소 질량: 211.13609954

개요

structure in first source

이름 및 식별자

우선 이름: N-benzyl-1-phenylethylamine
IUPAC: N-benzyl-1-phenylethanamine
영어명: N-BENZYL-1-PHENYLETHYLAMINE
분자식: C15H17N
분자량: 211.3

이름 및 동의어

3193-62-2benzyl(1-phenylethyl)amineN-BENZYL-1-PHENYLETHYLAMINEVY6H262FHMRefChem:829088823-659-3N-Benzyl-1-phenylethanamineN-benzyl-1-phenylethan-1-aminealpha-Methyldibenzylamine(+/-)-N-Benzyl-1-phenylethylamineMFCD00078747UNII-VY6H262FHM

이름 더 보기

N-Benzyl-α-methylbenzylamineBenzenemethanamine, α-methyl-N-(phenylmethyl)-BenzeneMethanaMine, a-Methyl-N-(phenylMethyl)-

(R)-(+)-N-Benzyl-alpha-methylbenzylamineDibenzylamine, alpha-methyl-N-benzyl-N-(1-phenylethyl)amineN-Benzyl-N-(alpha-methylbenzyl)amine(+)-N-Benzyl-.alpha.-phenethylamine(+/-)-N-Benzyl-alpha-methylbenzylamine(RS)-N-Benzyl-N-(alpha-methylbenzyl)amineBenzyl-(1-phenyl-ethyl)-amine

데이터베이스 식별자

CAS: 3193-62-2
PubChem CID: 519427
DTXSID: DTXSID60334015
UNII: VY6H262FHM
EC Number: 823-659-3
Nikkaji: J659.513H

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 249 · 249-252 °C
끓는 점: 176 °C · 176 °C(Press: 19 Torr)
밀도: 1.01 · 1.010±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 8.79 · 8.79±0.19(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.