N,N-BIS(2-HYDROXYETHYL)-P-톨루엔설폰아미드

N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide

HCID 81565CAS 7146-67-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)N(CCO)CCO)cc1
InChIKey: NHFJDXPINIIUQG-UHFFFAOYSA-N
분자식: C11H17NO4S
평균 분자량: 259.32 g/mol
단동위원소 질량: 259.08782902

이름 및 식별자

우선 이름: N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
IUPAC: N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
현지명: N,N-BIS(2-HYDROXYETHYL)-P-톨루엔설폰아미드
영어명: N,N-BIS(2-HYDROXYETHYL)-P-TOLUENESULFONAMIDE
분자식: C11H17NO4S
분자량: 259.32

이름 및 동의어

7146-67-0N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamideN,N-Bis(2-hydroxyethyl)-p-toluenesulphonamideNSC-23811NSC-46865J4FN4U7FGPDTXSID40221676RefChem:1090390DTXCID70144167230-455-2N,N-Bis(2-hydroxyethyl)-p-toluenesulfonamide3-Maleimido-PROXYL

이름 더 보기

N,N-BIS(2-HYDROXYETHYL)-P-톨루엔설폰아미드LABOTEST-BB LT00455265N,N-BIS(2-HYDROXHYETHYL)-4-TOLUENESULFONAMIDEN,N-BIS(2-HYDROXYETHYL)TOLUENE-4-SULPHONAMIDEN N-BIS-(2-HYDROXYETHYL)-P-TOLUENESULPHONAMIDEN,N-Bis(2-hydroxyethyl)-p-toluenesulfonamide>N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide2-{imidazo[1,5-a]pyridin-3-ylmethyl}-2,3-dihydro-1H-isoindole-1,3-dione

MFCD00020582Benzenesulfonamide, N,N-bis(2-hydroxyethyl)-4-methyl-N,N-Bis-(2-hydroxyethyl)-p-toluenesulfonamideN,N-bis(2-hydroxyethyl)-4-methylbenzene-1-sulfonamideSR-01000076268-1Benzenesulfonamide,N-bis(2-hydroxyethyl)-4-methyl-bis(2-hydroxyethyl)[(4-methylphenyl)sulfonyl]amineC-Acety

데이터베이스 식별자

CAS: 7146-67-0
PubChem CID: 81565
DTXSID: DTXSID40221676
UNII: J4FN4U7FGP
EC Number: 230-455-2
Nikkaji: J143.883B

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 86.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 17
형식 전하: 0
복잡도: 298

물리화학적 성질

녹는점: 94 · 94-100 °C
끓는 점: 452.4 · 452.4±55.0 °C(Predicted)
밀도: 1.2812 · 1.2812 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
물리적 상태: powder to crystal
산도 계수 (pKa): 13.92 · 13.92±0.10(Predicted)
색상: 흰색에서 거의 흰색

화학적 성질

WHITE TO OFF-WHITE CRYSTALLINE POWDER OR CHUNKS

안전 및 규제

안전 데이터

HS 번호: 2935.90.9500
risk_code: 22
hazard_code: Xn
safety_code: 38-28B

화학 및 산업

응용 분야 · 1건

용도2-Hydroxy-N-(2-hydroxyethyl)-S-(4-methylphenyl)ethane-1-sulfonamido acts as a reagent for the preparation of keto-acid reductoisomerase inhibitors and determination of their activity as herbicides, cancerocidal substances. XXIX. 1,1-Bis(2-chloroethyl)hydrazine and it’s derivatives as tumor-inhibiting agents.