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3-amino-4-hydroxy-N-(1-methylethyl)benzenesulphonamide structure

3-amino-4-hydroxy-N-(1-methylethyl)benzenesulphonamide

CAS：80-19-3
MW:230.28406
MF：C9H14N2O3S

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Names and ldentifier
Properties
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 3-amino-4-hydroxy-N-(1-methylethyl)benzenesulphonamide

1.2 Synonyms: 3-Amino-4-hydroxy-N-(1-methylethyl)benzenesulfonamide; 3-amino-4-hydroxy-N-(1-methylethyl)benzenesulphonamide; 3-Amino-4-hydroxy-N-(propan-2-yl)benzene-1-sulfonamide; 3-Amino-4-hydroxy-N-propan-2-ylbenzenesulfonamide; Benzenesulfonamide, 3-amino-4-hydroxy-N-(1-methylethyl)-; Metanilamide, 4-hydroxy-N1-isopropyl-;

1.3 CAS No.: 80-19-3

1.4 CID: 66452

1.5 EINECS: 201-257-3

1.6 Molecular Formula: C9H14N2O3S

1.7 Inchi: InChI=1S/C9H14N2O3S/c1-6(2)11-15(13,14)7-3-4-9(12)8(10)5-7/h3-6,11-12H,10H2,1-2H3

1.8 InChkey: FTKHOHJWUYHTPW-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(C)NS(=O)(=O)C1=CC(=C(C=C1)O)N

1.10 Isomers Smiles: CC(C)NS(=O)(=O)C1=CC(=C(C=C1)O)N

2. Properties

2.1 pKa: 7.94±0.20(Predicted)

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

4. Computed Properties

Molecular Weight：230.28406g/mol
Molecular Formula：C₉H₁₄N₂O₃S
Compound Is Canonicalized：True
Exact Mass：0.7
XLogP3-AA：230.07251349
Monoisotopic Mass：230.07251349
Complexity：297
Rotatable Bond Count：3
Hydrogen Bond Donor Count：3
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：101
Heavy Atom Count：：15
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzMABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgQQSAAACCzB0AQyx4BAAgKAACRCQHDCABAgIgAIiJgHbIgKJiKSkZOAcARk0BEI2AeQQAAAAIAAACAAEAABAAAAQAAgAAAAAAAAAA==

5.Other Information

Manufacturing Info: Benzenesulfonamide, 3-amino-4-hydroxy-N-(1-methylethyl)-: INACTIVE

6. Toltal 3 Suppliers View more

Isopropylamine oapsamide (amide)

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Benzenesulfonamide,3-amino-4-hydroxy-N-(1-methylethyl)-

Hubei Jiutian Bio-medical Technology Co., Ltd

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Benzenesulfonamide,3-amino-4-hydroxy-N-(1-methylethyl)-

ORCHEM INDUSTRIES PVT. LTD

Tel: Update Time:2010/12/18

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7. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 EINECS(EC#)
1.5 Molecular Formula
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles

2. Properties

2.1 pKa

4. Computational chemical data

5. Other Information

6. Toltal 3 Suppliers

7. Realated Product Infomation

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