4-Guanidinobenzoic acid hydrochloride

C₈H₁₀ClN₃O₂CAS 42823-46-1215.64 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine

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 Å²
H-bond donors / acceptors: 4 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Amidinobenzoic acid hydrochloride42823-72-359 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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