1-[(4-클로로-3-니트로페닐)술포닐]-4-메틸피페라진

1-[(4-Chloro-3-nitrophenyl)sulfonyl]-4-methylpiperazine

HCID 2842419

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 324068-31-7
표준 SMILES: CN1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1
InChIKey: QVLBUTWRIIGYFT-UHFFFAOYSA-N
분자식: C11H14ClN3O4S
평균 분자량: 319.77 g/mol
단동위원소 질량: 319.03935461

이름 및 식별자

우선 이름: 1-[(4-Chloro-3-nitrophenyl)sulfonyl]-4-methylpiperazine
IUPAC: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-methylpiperazine
현지명: 1-[(4-클로로-3-니트로페닐)술포닐]-4-메틸피페라진
영어명: 1-[(4-CHLORO-3-NITROPHENYL)SULFONYL]-4-METHYLPIPERAZINE
분자식: C11H14ClN3O4S
분자량: 319.76

이름 및 동의어

324068-31-71-[(4-chloro-3-nitrophenyl)sulfonyl]-4-methylpiperazine1-(4-Chloro-3-nitrobenzenesulfonyl)-4-methylpiperazine1-(4-chloro-3-nitrophenyl)sulfonyl-4-methylpiperazine1-((4-Chloro-3-nitrophenyl)sulfonyl)-4-methylpiperazine5342-53-0CHEMBL298770MFCD01080234SCHEMBL9928191-(4-Chloro-3-nitro-benzenesulfonyl)-4-methyl-piperazineDTXSID00385703QVLBUTWRIIGYFT-UHFFFAOYSA-N

이름 더 보기

1-[(4-클로로-3-니트로페닐)술포닐]-4-메틸피페라진Piperazine, 1-[(4-chloro-3-nitrophenyl)sulfonyl]-4-methyl-1-[(4-chloro-3-nitrobenzene)sulfonyl]-4-methylpiperazine - [AC78341]

BDBM50101949EBC-04253AKOS000596027SY136644CS-0221354EN300-08951G37293AB00081508-01

데이터베이스 식별자

CAS: 324068-31-7、5342-53-0
PubChem CID: 2842419
DTXSID: DTXSID00385703
ChEMBL: CHEMBL298770
EC Number: 127-338-2
Nikkaji: J1.546.141A

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 94.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 20
형식 전하: 0
복잡도: 453

물리화학적 성질

끓는 점: 455 · 455.0±55.0 °C(Predicted)
밀도: 1.455 · 1.455±0.06 g/cm3(Predicted)
산도 계수 (pKa): 5.62 · 5.62±0.42(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, P317, 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.