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

HCID 88978
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Basic information

CAS
21635-69-8
Standard SMILES
COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1N
InChIKey
MRILAYPKVVWTRG-UHFFFAOYSA-N
Molecular formula
C10H15NO7S2
Average molar mass
325.4 g/mol
Monoisotopic mass
325.02899382

Names & identifiers

Preferred name
Ethanol, 2-[(4-amino-5-methoxy-2-methylphenyl)sulfonyl]-, 1-(hydrogen sulfate)
IUPAC
2-(4-amino-5-methoxy-2-methylphenyl)sulfonylethyl hydrogen sulfate
English name
2-((4-Amino-5-methoxy-2-methylphenyl)sulfonyl)ethyl hydrogen sulfate
Molecular formula
C10H15NO7S2
Molecular weight
325.36

Names & synonyms

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
Show more names
Vinyl 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

Database identifiers

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

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
150 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
20

Physicochemical properties

Density
1.512 · 1.512±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
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

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

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

Upstream & downstream products

Suppliers27 total

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]

Related reactions

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Compound notes

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