Benzenemethanamine, ar-ethenyl-N,N-dimethyl-

HCID 519956CAS 2245-52-5

기본 정보

표준 SMILES: C=Cc1ccc(CN(C)C)cc1
InChIKey: XQBHAZDVLGNSOJ-UHFFFAOYSA-N
분자식: C11H15N
평균 분자량: 161.24 g/mol
단동위원소 질량: 161.12044948

이름 및 식별자

우선 이름: Benzenemethanamine, ar-ethenyl-N,N-dimethyl-
IUPAC: 1-(4-ethenylphenyl)-N,N-dimethylmethanamine
영어명: (Dimethylaminomethyl)styrene
분자식: C11H15N
분자량: 161.24

이름 및 동의어

N-(4-Vinylbenzyl)-N,N-dimethylamineBenzenemethanamine, ar-ethenyl-N,N-dimethyl-N-(Vinylbenzyl)dimethylamineRefChem:563315EINECS 256-875-6696-066-92245-52-5N,N-dimethyl-1-(4-vinylphenyl)methanamineBenzenemethanamine, 4-ethenyl-N,N-dimethyl-(Dimethylaminomethyl)styreneBenzylamine, N,N-dimethyl-p-vinyl-50976-17-5

이름 더 보기

VINYLBENZYLDIMETHYLAMINEN-(4-Vinylbenzyl)-N,N-dimethylaminN-(4-VINYLBENZYL)-N,N-DIMETHYL AMINE(4-ethenylphenyl)methyl-dimethylazanium(4-ethenylphenyl)-N,N-dimethylmethanaminium

1-(4-ethenylphenyl)-N,N-dimethylmethanamineMFCD00078270[(4-ETHENYLPHENYL)METHYL]DIMETHYLAMINEN,N-Dimethyl-4'-vinylbenzylaminep-dimethylaminomethylstyrenen,n-dimethylvinylbenzylamineSCHEMBL465236N,N-Dimethyl-4-vinylbenzylamine

데이터베이스 식별자

CAS: 2245-52-5、50976-17-5
PubChem CID: 519956
DTXSID: DTXSID90427045
EC Number: 696-066-9
Nikkaji: J798.764A

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 132

물리화학적 성질

끓는 점: 217.3 ℃ · 217.3℃
밀도: 0.937 · 0.937
굴절률: 1.538 · 1.5380
인화점: 77.3 ℃ · 77.3℃
저장 조건: Refrigerator (+4°C)
산도 계수 (pKa): 8.82 · 8.82±0.28(Predicted)
물리적 상태: 액체
색상: 투명한 노란색에서 갈색까지
InChI: InChI=1S/C11H15N/c1-4-10-5-7-11(8-6-10)9-12(2)3/h4-8H,1,9H2,2-3H3
InChIKey: XQBHAZDVLGNSOJ-UHFFFAOYSA-N
SMILES: C1(CN(C)C)=CC=C(C=C)C=C1

화학적 성질

clear yellow to brown liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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