N-메틸-2-(메틸설포닐)에틸아민

(2-Methanesulfonylethyl)(methyl)amine

HCID 3856040

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 202198-18-3
표준 SMILES: CNCCS(C)(=O)=O
InChIKey: GCPNZCTVVWEQKX-UHFFFAOYSA-N
분자식: C4H11NO2S
평균 분자량: 137.2 g/mol
단동위원소 질량: 137.05104959

이름 및 식별자

우선 이름: (2-Methanesulfonylethyl)(methyl)amine
IUPAC: N-methyl-2-methylsulfonylethanamine
현지명: N-메틸-2-(메틸설포닐)에틸아민
영어명: N-Methyl-2-(methylsulfonyl)ethylamine
분자식: C4H11NO2S
분자량: 137.2

이름 및 동의어

(2-methanesulfonylethyl)(methyl)amineRefChem:395950691-625-3202198-18-3N-Methyl-2-(methylsulfonyl)ethanamine2-(Methylamino)-1-(methylsulfonyl)ethaneN-methyl-2-methylsulfonylethanamineN-Methyl-2-(methylsulfonyl)ethylamineEthanamine, N-methyl-2-(methylsulfonyl)-MFCD020894032-(Methylamino)-1-(methylsulphonyl)ethaneSCHEMBL553402

이름 더 보기

N-메틸-2-(메틸설포닐)에틸아민(2-Methylsulfonylethyl)methylamineN-Methyl-2-(methylsulphonyl)ethylamineN-Methyl-2-(methanesulfonyl)ethylamineN-Methyl-2-(methylsulfonyl)ethan-1-amine1-(Methylamino)-2-(methylsulphonyl)ethane, Methyl 2-(methylamino)ethyl sulphone

SCHEMBL1097962SCHEMBL5117559DTXSID00397402GCPNZCTVVWEQKX-UHFFFAOYSA-NAR3755AKOS009118576(2-methanesulfonyl-ethyl)-methyl-amineN-methyl-2-(methylsulfonyl)ethaneamine

데이터베이스 식별자

CAS: 202198-18-3
PubChem CID: 3856040
DTXSID: DTXSID00397402
EC Number: 691-625-3

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 54.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 133

물리화학적 성질

끓는 점: 288 ℃ · 288℃
밀도: 1.102 · 1.102
인화점: 128 ℃ · 128℃
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 8.39 · 8.39±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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