4-Amidinobenzoic acid hydrochloride

C₈H₉ClN₂O₂CAS 42823-72-3200.62 g/mol

Open in Covalent MOL file

Amidine Carboxylic acid

Properties

Molecular formula: C₈H₉ClN₂O₂
Molar mass: 200.62 g/mol
Exact mass: 200.0353 Da
logP: 1.09Crippen estimate
Polar surface area: 87.2 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

42823-72-3

SMILES

C1=CC(=CC=C1C(=N)N)C(=O)O.Cl

InChIKey

LWZWTSNXTMLZNG-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O2.ClH/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H3,9,10)(H,11,12);1H

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Names and synonyms

1 names

4-Amidinobenzoic acid hcl

Work with 4-Amidinobenzoic 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

4-Guanidinobenzoic acid hydrochloride42823-46-159 % similar p-Hydroxybenzamidine monohydrochloride38148-63-959 % similar p-Aminobenzamidine dihydrochloride2498-50-256 % similar p-Hydrazinobenzoic acid hydrochloride24589-77-356 % similar Terephthalic acid100-21-056 % similar Benzamidine hydrochloride1670-14-055 % similar 4-(Aminocarbonyl)benzoic acid6051-43-055 % similar 4-Chlorobenzamidine hydrochloride14401-51-555 % similar

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

Same formula

Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-0 Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate2134-36-3 2-Chlorophenoxyacetic acid hydrazide36304-40-2

Elsewhere

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