(4-Aminophenyl)methanesulfonic acid

HCID 423124

Notes Reactions

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Basic information

CAS: 6387-28-6
Standard SMILES: Nc1ccc(CS(=O)(=O)O)cc1
InChIKey: QJGHJWKPZQIOSN-UHFFFAOYSA-N
Molecular formula: C7H9NO3S
Average molar mass: 187.22 g/mol
Monoisotopic mass: 187.03031432

Names & identifiers

Preferred name: (4-Aminophenyl)methanesulfonic acid
IUPAC: (4-aminophenyl)methanesulfonic acid
English name: (4-aminophenyl)methanesulfonic acid
Molecular formula: C7H9NO3S
Molecular weight: 187.22

Names & synonyms

(4-aminophenyl)methanesulfonic acid6387-28-6MFCD0020995159373-63-64-Aminobenzyl Sulfonic AcidSCHEMBL1335821SCHEMBL8752809DTXSID50980641(4-aminophenyl)methanesulfonicacidQJGHJWKPZQIOSN-UHFFFAOYSA-NSY482717H56284

Show more names

Benzenemethanesulfonic acid, 4-amino-

AE-641/00783046

Database identifiers

CAS: 6387-28-6
PubChem CID: 423124
DTXSID: DTXSID50980641

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 88.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 224

Chemistry & industry

Upstream & downstream products

Downstream products

2-Naphthalenesulfonic acid, 4-hydroxy-6-(methylamino)-3-[[4-(sulfomethyl)phenyl]azo]-, disodium salt 6-Amino-4-hydroxy-3-[[4-(sulfomethyl)phenyl]azo]-2-naphthalenesulfonic acid disodium salt

Suppliers3 total

韶远科技(上海)有限公司4000665055 · [email protected]

Alfa Chemistry+1-5166625404 · [email protected]

Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]

Related reactions

2 records

New reaction record

HRID 905921As productuspto-grants-2011_09

HRID 2350730As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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