CAS 402927-97-3 1-(Methanesulfonyl)piperidin-4-amine (HCID 11355826)

기본 정보

CAS: 402927-97-3
표준 SMILES: CS(=O)(=O)N1CCC(N)CC1
InChIKey: FLQSRSQNICPZIH-UHFFFAOYSA-N
분자식: C6H14N2O2S
평균 분자량: 178.26 g/mol
단동위원소 질량: 178.07759869

이름 및 식별자

우선 이름: 1-(Methanesulfonyl)piperidin-4-amine
IUPAC: 1-methylsulfonylpiperidin-4-amine
현지명: 1-(메틸술포닐)피페리딘-4-아민
영어명: 1-(Methylsulfonyl)piperidin-4-amine
분자식: C6H14N2O2S
분자량: 178.25

이름 및 동의어

402927-97-31-(Methanesulfonyl)piperidin-4-amineDTXSID90463302RefChem:226776DTXCID804141211-(methylsulfonyl)piperidin-4-amine4-Amino-1-methanesulfonylpiperidine4-Amino-1-(methylsulfonyl)piperidine1-methanesulfonylpiperidin-4-amine1-methylsulfonylpiperidin-4-amineMFCD068057364-Amino-1-(methanesulfonyl)piperidine

이름 더 보기

1-(메틸술포닐)피페리딘-4-아민AKOS B025717ART-CHEM-BB B0257174-AMino-1-(Methanesulfony...1-(Methylsulfonyl)-4-aminopiperidin1-(Methylsulfonyl)-4-aMinopiperidine1-Methanesulfonyl-piperidin-4-ylamine

1-(methylsulfonyl)-4-piperidinamine1-(methylsulfonyl)-4-piperidylamine4-Piperidinamine, 1-(methylsulfonyl)-1-(methylsulfonyl)-4-piperiSCHEMBL363726SCHEMBL1562706methylsulfonyl-piperidin-4-amineFLQSRSQNICPZIH-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 402927-97-3
PubChem CID: 11355826
DTXSID: DTXSID90463302
EC Number: 675-056-8

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 71.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 211

물리화학적 성질

끓는 점: 296 · 296.0±50.0 °C(Predicted)
밀도: 1.27 · 1.27±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: solid
산도 계수 (pKa): 9.45 · 9.45±0.20(Predicted)
InChI: InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3
InChIKey: FLQSRSQNICPZIH-UHFFFAOYSA-N
SMILES: N1(S(C)(=O)=O)CCC(N)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.