기본 정보
- CAS
23905-13-7- 표준 SMILES
Cc1cccc(CN2CCN(CCNC(c3ccccc3)c3ccc(Cl)cc3)CC2)c1- InChIKey
XZFSCNFSDDOXPQ-UHFFFAOYSA-N- 분자식
- C27H32ClN3
- 평균 분자량
- 434 g/mol
- 단동위원소 질량
- 433.2284757
이름 및 식별자
- 우선 이름
- Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)-4-(m-methylbenzyl)-
- IUPAC
- N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanamine
- 현지명
- 1-[2-[(p-클로로-α-페닐벤질)아미노]에틸]-4-(3-메틸페닐메틸)피페라진
- 영어명
- 1-[2-[(p-Chloro-α-phenylbenzyl)amino]ethyl]-4-(3-methylphenylmethyl)piperazine
- 분자식
- C27H32ClN3
- 분자량
- 434.02
이름 및 동의어
23905-13-71-(2-(alpha-(p-Chlorophenyl)benzylamino)ethyl)-4-(m-methylbenzyl)piperazinePiperazine, 1-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)-4-(m-methylbenzyl)-RefChem:372000N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanamineDTXSID709467291-[2-[(p-Chloro-alpha-phenylbenzyl)amino]ethyl]-4-(3-methylphenylmethyl)piperazineN-[(4-Chlorophenyl)(phenyl)methyl]-2-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-amine1-[2-[(p-클로로-α-페닐벤질)아미노]에틸]-4-(3-메틸페닐메틸)피페라진1-[2-[(p-Chloro-α-phenylbenzyl)amino]ethyl]-4-(3-methylphenylmethyl)piperazine1-Piperazineethanamine, N-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-
데이터베이스 식별자
- CAS
23905-13-7- PubChem CID
- 91054
- DTXSID
DTXSID70946729- Nikkaji
- J50.577C
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 493
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