1-(Ethanesulfonyl)piperazine

HCID 415294CAS 62937-96-6

기본 정보

표준 SMILES: CCS(=O)(=O)N1CCNCC1
InChIKey: BIYGAOBOLDXNHM-UHFFFAOYSA-N
분자식: C6H14N2O2S
평균 분자량: 178.26 g/mol
단동위원소 질량: 178.07759869

이름 및 식별자

우선 이름: 1-(Ethanesulfonyl)piperazine
IUPAC: 1-ethylsulfonylpiperazine
영어명: 1-ETHYLSULFONYL-PIPERAZINE
분자식: C6H14N2O2S
분자량: 178.25

이름 및 동의어

62937-96-61-(Ethanesulfonyl)piperazineDTXSID50978765RefChem:427755DTXCID001406075625-313-51-(ethylsulfonyl)piperazine1-ethylsulfonylpiperazine1-Ethylsulfonyl-piperazine1-(ethylsulphonyl)piperazine1-Ethanesulfonyl-piperazine1-ethylsulfonyl piperazine

이름 더 보기

AKOS B020880RARECHEM AX KI 1044TIMTEC-BB SBB007119ART-CHEM-BB B0208801-ETHYLSULFONYL-PIPERAZINE 95%Piperazine, 1-(ethylsulfonyl)-1-(Ethylsulphonyl)piperazine95%

MFCD020935281-ethanesulfonylpiperazine(ethylsulfonyl)piperazineEN300-60935ethanesulfethanesulfonylpiperazineBAS 03362899Ethanesulfonyl-piperazine

데이터베이스 식별자

CAS: 62937-96-6
PubChem CID: 415294
DTXSID: DTXSID50978765
EC Number: 625-313-5
Nikkaji: J1.607.106D

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 57.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 201

물리화학적 성질

녹는점: 69 · 69-72 °C
끓는 점: 110 · 110-112°C/0.1mm
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 7.78 · 7.78±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 옅은 갈색까지
InChI: 1S/C6H14N2O2S/c1-2-11(9,10)8-5-3-7-4-6-8/h7H,2-6H2,1H3
InChIKey: BIYGAOBOLDXNHM-UHFFFAOYSA-N
SMILES: CCS(=O)(=O)N1CCNCC1

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.