2-아미노에틸메틸술폰

2-(Methylsulfonyl)ethanamine

HCID 4340561CAS 49773-20-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CS(=O)(=O)CCN
InChIKey: SDNXQWUJWNTDCC-UHFFFAOYSA-N
분자식: C3H9NO2S
평균 분자량: 123.18 g/mol
단동위원소 질량: 123.03539953

개요

potent stimulator of ATP-dependent calcium uptake; structure given in first source

이름 및 식별자

우선 이름: 2-(Methylsulfonyl)ethanamine
IUPAC: 2-methylsulfonylethanamine
현지명: 2-아미노에틸메틸술폰
영어명: 2-Aminoethylmethyl sulfone
분자식: C3H9NO2S
분자량: 123.17

이름 및 동의어

49773-20-82-(methylsulfonyl)ethanamine2-Aminoethylmethyl sulfoneAEMSEthanamine, 2-(methylsulfonyl)-2-aminoethyl methyl sulfoneDTXSID8019803584JQ8U9R8VRefChem:465146DTXCID101205262-methylsulfonylethanamine2-methanesulfonylethan-1-amine

이름 더 보기

2-아미노에틸메틸술폰3-Aminopropane-1-sulfinateEthanamine, 2-(methylsulfonyl)- HCL2-(methylsulfonyl)ethanamine 0.95HCl2-(methylsulfonyl)ethanamine(SALTDATA: 0.95HCl)

2-(methylsulfonyl)ethaneamine2-aminoethylmethylsulfoneMFCD018625532-(methylsulfonyl)ethan-1-amine2-Aminoethylmethylsulphone2-methanesulphonylethylamine2-(methylsulfonyl)ethylamine2-methanesulphonyl-ethylamine

데이터베이스 식별자

CAS: 49773-20-8
PubChem CID: 4340561
DTXSID: DTXSID80198035
UNII: 84JQ8U9R8V
EC Number: 610-479-3
Nikkaji: J1.943.257B

물성

구조 계산 물성

XLogP: -1.3
극성 표면적: 68.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 120

물리화학적 성질

끓는 점: 160 °C · 160 °C(Press: 0.02 Torr)
밀도: 1.223 · 1.223
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 7.02 · 7.02±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.