chempirical

Biphenyl-4-carboxamidine hydrochloride

C13H13ClN2CAS 111082-23-6232.71 g/mol

Open in Covalent MOL file
NHNH2HCl
Amidine

Properties

Molecular formula
C13H13ClN2
Molar mass
232.71 g/mol
Exact mass
232.0767 Da
logP
3.06Crippen estimate
Polar surface area
49.9 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
111082-23-6
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=N)N.Cl
InChIKey
WIYQWPDKLHFVLY-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2.ClH/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H3,14,15);1H

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Names and synonyms

1 names
  • 4-Phenylbenzene-1-carboximidamide hydrochloride

Work with Biphenyl-4-carboxamidine 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

Benzamidine hydrochloride1670-14-077 % similar Benzenecarboximidamide, hydrochloride, hydrate (1:1:?)206752-36-569 % similar p-Aminobenzamidine dihydrochloride2498-50-260 % similar 4-Chlorobenzamidine hydrochloride14401-51-558 % similar p-Hydroxybenzamidine monohydrochloride38148-63-958 % similar 4-Fluorobenzamidine hydrochloride456-14-458 % similar 4-Bromobenzene-1-carboximidamide hydrochloride55368-42-858 % similar 4-Methylbenzamidine hydrochloride6326-27-858 % similar

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

Same formula

3-(4-Chlorbutyl)-1H-indol-5-carbonitril143612-79-7

Elsewhere

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