2-[(4-아미노-5-메톡시-o-톨일)설폰일]에틸 하이드로젠 설페이트

Ethanol, 2-[(4-amino-5-methoxy-2-methylphenyl)sulfonyl]-, 1-(hydrogen sulfate)

HCID 88978CAS 21635-69-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1N
InChIKey
MRILAYPKVVWTRG-UHFFFAOYSA-N
분자식
C10H15NO7S2
평균 분자량
325.4 g/mol
단동위원소 질량
325.02899382

이름 및 식별자

우선 이름
Ethanol, 2-[(4-amino-5-methoxy-2-methylphenyl)sulfonyl]-, 1-(hydrogen sulfate)
IUPAC
2-(4-amino-5-methoxy-2-methylphenyl)sulfonylethyl hydrogen sulfate
현지명
2-[(4-아미노-5-메톡시-o-톨일)설폰일]에틸 하이드로젠 설페이트
영어명
2-((4-Amino-5-methoxy-2-methylphenyl)sulfonyl)ethyl hydrogen sulfate
분자식
C10H15NO7S2
분자량
325.36

이름 및 동의어

21635-69-8DTXSID8066719EINECS 244-486-4Ethanol, 2-[(4-amino-5-methoxy-2-methylphenyl)sulfonyl]-, hydrogen sulfate (ester)Ethanol, 2-((4-amino-5-methoxy-2-methylphenyl)sulfonyl)-, 1-(hydrogen sulfate)Ethanol, 2-((4-amino-5-methoxy-2-methylphenyl)sulfonyl)-, hydrogen sulfate (ester)Ethanol, 2-[(4-amino-5-methoxy-2-methylphenyl)sulfonyl]-, 1-(hydrogen sulfate)RefChem:138257DTXCID80365242-((4-Amino-5-methoxy-2-methylphenyl)sulfonyl)ethyl hydrogen sulfate2-(4-amino-5-methoxy-2-methylphenyl)sulfonylethyl hydrogen sulfate2-((4-Amino-5-methoxy-2-methylphenyl)-sulfonyl)ethyl hydrogen sulfate
이름 더 보기
2-[(4-아미노-5-메톡시-o-톨일)설폰일]에틸 하이드로젠 설페이트2-[(4-AMINO-5-METHOXY-2-METHYLPHENYL)SULPHONYL]하이드로겐설페이트에스테르Vinyl Sulfone of p-CresidineCresidine para-esterPARA CRESIDINE VINYL SULPHONEVINYLSULPHONEESTEROFPARACRESIDINEVINYL SULPHONE ESTER PARA CRESIDINE BASE2-Methoxy-5-methyl-4-(β-sulfatoethylsulfonyl)anilinesodiumsalt2-[(4-Amino-5-Methoxy-2-Methylphenyl) Sulfonyl]-ethanol hydr...2-[(4-amino-5-methoxy-o-tolyl)sulphonyl]ethyl hydrogen sulphate2-(4-amino-2-methoxy-5-methylphenylsulfonyl)ethyl hydrogensulfate2-[(4-AMINO-5-METHOXY-2-METHYLPHENYL) SULFONYL] HYDROGENSULFATE ESTER
2-[(4-amino-5-methoxy-2-methylphenyl)sulfonyl]ethyl hydrogen sulfateSCHEMBL3481070MRILAYPKVVWTRG-UHFFFAOYSA-N2-((4-Amino-5-methoxy-o-tolyl)sulphonyl)ethyl hydrogen sulphate2-((4-Amino-5-methoxy-2-methylphenyl)sulfonyl)ethylhydrogensulfateNS000269272-(4-Amino-5-methoxy-2-methylbenzene-1-sulfonyl)ethyl hydrogen sulfate

데이터베이스 식별자

CAS
21635-69-8
PubChem CID
88978
DTXSID
DTXSID8066719
EC Number
244-486-4
Nikkaji
J33.674B

물성

구조 계산 물성

XLogP
-0.3
극성 표면적
150 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
20

물리화학적 성질

밀도
1.512 · 1.512±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
-3.91 · -3.91±0.18(Predicted)
InChI
InChI=1S/C10H15NO7S2/c1-7-5-8(11)9(17-2)6-10(7)19(12,13)4-3-18-20(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)
InChIKey
MRILAYPKVVWTRG-UHFFFAOYSA-N
SMILES
C(OS(O)(=O)=O)CS(C1=CC(OC)=C(N)C=C1C)(=O)=O

안전 및 규제

안전 데이터

tsca
TSCA listed
기존화학 물질
97-3-175

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanol, 2-[(4-amino-5-methoxy-2-methylphenyl)sulfonyl]-, 1-(hydrogen sulfate): ACTIVE

상·하류 제품 정보

공급사27 곳

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]

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