3,5-Diamino-4-hydroxybenzoic acid dihydrochloride

Substructure search Find similar structures

Basic information

CAS: 177960-39-3
Standard SMILES: Cl.Cl.Nc1cc(C(=O)O)cc(N)c1O
InChIKey: PTPSGXXEBQSVSM-UHFFFAOYSA-N
Molecular formula: C7H10Cl2N2O3
Average molar mass: 241.07 g/mol
Monoisotopic mass: 240.0068476

Overview

RN refers to dihydrochloride; structure given in first source

Names & identifiers

Preferred name: 3,5-Diamino-4-hydroxybenzoic acid dihydrochloride
IUPAC: 3,5-diamino-4-hydroxybenzoic acid;dihydrochloride
English name: 3,5-diamino-4-hydroxybenzoic acid dihydrochloride
Molecular formula: C7H9ClN2O3
Molecular weight: 204.61

Names & synonyms

3,5-Diamino-4-hydroxybenzoic acid dihydrochloride177960-39-3Alt-486DTXSID10170405RefChem:91411DTXCID3092896Alt 486SCHEMBL9064511PTPSGXXEBQSVSM-UHFFFAOYSA-N3,5-Diamino-4-hydroxybenzoic acid--hydrogen chloride (1/2)Benzoic acid, 3,5-diamino-4-hydroxy-, hydrochloride (1:2)

Database identifiers

CAS: 177960-39-3
PubChem CID: 133100
DTXSID: DTXSID10170405

Properties

Computed structural properties

Topological polar surface area: 110 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 173

Related reactions

1 records

New reaction record

HRID 439316As productuspto-grants-1996_05

Compound notes

Loading…