chempirical

4-Guanidinobenzoic acid hydrochloride

C8H10ClN3O2CAS 42823-46-1215.64 g/mol

Open in Covalent MOL file
HClNHH2NHNOOH
Carboxylic acidGuanidine

Properties

Molecular formula
C8H10ClN3O2
Molar mass
215.64 g/mol
Exact mass
215.0462 Da
Melting point
268 °C (decomposes)
logP
1.11Crippen estimate
Polar surface area
99.2 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
2

Identifiers

CAS number
42823-46-1
SMILES
Cl.N=C(N)Nc1ccc(C(=O)O)cc1
InChIKey
YETFLAUJROGBMC-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzoic acid, 4-[(aminoiminomethyl)amino]-, hydrochloride (1:1)
  • Benzoic acid, 4-[(aminoiminomethyl)amino]-, monohydrochloride
  • Benzoic acid, p-guanidino-, hydrochloride
  • p-Guanidinobenzoic acid hydrochloride
  • 4-Guanidinobenzoic acid monohydrochloride
  • 4-[[Amino(imino)methyl]amino]benzoic acid hydrochloride

Work with 4-Guanidinobenzoic acid hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

p-Hydrazinobenzoic acid hydrochloride24589-77-361 % similar 4-[(Aminothioxomethyl)amino]benzoic acid7366-56-556 % similar 4-Hydrazinobenzoic acid619-67-053 % similar Phenylguanidine bicarbonate6685-76-353 % similar 4-(Methylamino)benzoic acid10541-83-047 % similar 4-(Aminocarbonyl)benzoic acid6051-43-047 % similar Terephthalic acid100-21-047 % similar N-(4-Cyanophenyl)guanidine5637-42-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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