1-(3-브로모페닐설포닐)-4-메틸피페라진

1-(3-Bromobenzenesulfonyl)-4-methylpiperazine

HCID 29402114

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 486422-19-9
표준 SMILES: CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIKey: XYSXYLKXIYXHPD-UHFFFAOYSA-N
분자식: C11H15BrN2O2S
평균 분자량: 319.22 g/mol
단동위원소 질량: 318.00376082

이름 및 식별자

우선 이름: 1-(3-Bromobenzenesulfonyl)-4-methylpiperazine
IUPAC: 1-(3-bromophenyl)sulfonyl-4-methylpiperazine
현지명: 1-(3-브로모페닐설포닐)-4-메틸피페라진
영어명: 1-(3-Bromophenylsulfonyl)-4-methylpiperazine
분자식: C11H15BrN2O2S
분자량: 319.22

이름 및 동의어

1-(3-bromobenzenesulfonyl)-4-methylpiperazineRefChem:423412969-719-3486422-19-91-(3-BROMOPHENYLSULFONYL)-4-METHYLPIPERAZINE1-((3-bromophenyl)sulfonyl)-4-methylpiperazine1-(3-bromophenyl)sulfonyl-4-methylpiperazine1-(3-Bromobenzene-1-sulfonyl)-4-methylpiperazine1-[(3-BROMOBENZENE)SULFONYL]-4-METHYLPIPERAZINEMFCD100007721-[(3-bromophenyl)sulfonyl]-4-methylpiperazineSCHEMBL2379666

이름 더 보기

1-(3-브로모페닐설포닐)-4-메틸피페라진Piperazine,1-[(3-bromophenyl)sulfonyl]-4-methyl-

DTXSID80651953XYSXYLKXIYXHPD-UHFFFAOYSA-NLUA42219AKOS005908685EN300-785241-(3-bromophenyl)sulfonyl-4-methyl-piperazineN102041-(3-bromo-benzenesulfonyl)-4-methyl-piperazine

데이터베이스 식별자

CAS: 486422-19-9
PubChem CID: 29402114
DTXSID: DTXSID80651953
EC Number: 969-719-3

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 49 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 347

물리화학적 성질

끓는 점: 413.3 · 413.3±55.0 °C(Predicted)
밀도: 1.505 · 1.505±0.06 g/cm3(Predicted)
산도 계수 (pKa): 6.03 · 6.03±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.