4-[2-(4-메틸피페라진-1-일)에틸]아닐린

4-[2-(4-Methylpiperazin-1-yl)ethyl]aniline

HCID 24255480

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 262368-48-9
표준 SMILES: CN1CCN(CCc2ccc(N)cc2)CC1
InChIKey: BKUWHZDNFSRARB-UHFFFAOYSA-N
분자식: C13H21N3
평균 분자량: 219.33 g/mol
단동위원소 질량: 219.17354767

이름 및 식별자

우선 이름: 4-[2-(4-Methylpiperazin-1-yl)ethyl]aniline
IUPAC: 4-[2-(4-methylpiperazin-1-yl)ethyl]aniline
현지명: 4-[2-(4-메틸피페라진-1-일)에틸]아닐린
영어명: 4-[2-(4-methylpiperazin-1-yl)ethyl]aniline
분자식: C13H21N3
분자량: 219.33

이름 및 동의어

4-[2-(4-methylpiperazin-1-yl)ethyl]aniline4-(2-(4-Methylpiperazin-1-yl)ethyl)anilineDTXSID20640523RefChem:517257DTXCID30591274899-564-6262368-48-94-[2-(4-Methyl-piperazin-1-yl)-ethyl]-phenylamineMFCD098847594-[2-(4-Methyl-1-piperazinyl)ethyl]anilineSCHEMBL1509554BKUWHZDNFSRARB-UHFFFAOYSA-N

이름 더 보기

4-[2-(4-메틸피페라진-1-일)에틸]아닐린OTAVA-BB 1036666[4-[2-(4-METHYLPIPERAZIN-1-YL)ETHYL]PHENYL]AMINEBenzenamine, 4-[2-(4-methyl-1-piperazinyl)ethyl]-

MKA36848AKOS000256928SY1740684-[2-(N-methylpiperazino)-ethyl]-anilineDB-067584CS-0216580EN300-517384-[2-(4-Methyl-piperazin-1-yl)ethyl]aniline

데이터베이스 식별자

CAS: 262368-48-9
PubChem CID: 24255480
DTXSID: DTXSID20640523
EC Number: 899-564-6

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 32.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 191

물리화학적 성질

저장 조건: Store at Room Tem.
물리적 상태: solid
InChI: 1S/C13H21N3/c1-15-8-10-16(11-9-15)7-6-12-2-4-13(14)5-3-12/h2-5H,6-11,14H2,1H3
InChIKey: BKUWHZDNFSRARB-UHFFFAOYSA-N
SMILES: NC(C=C1)=CC=C1CCN2CCN(C)CC2

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.