chempirical

N-(4-Cyanophenyl)guanidine

C8H8N4CAS 5637-42-3160.18 g/mol

Open in Covalent MOL file
NNHHNNH2
GuanidineNitrile

Properties

Molecular formula
C8H8N4
Molar mass
160.18 g/mol
Exact mass
160.0749 Da
Melting point
220–222 °C
logP
0.86Crippen estimate
Polar surface area
85.7 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Identifiers

CAS number
5637-42-3
SMILES
N#Cc1ccc(NC(=N)N)cc1
InChIKey
BTDGLZSKNFJBER-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4H,(H4,10,11,12)

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

Names and synonyms

6 names
  • Guanidine, N-(4-cyanophenyl)-
  • Guanidine, (p-cyanophenyl)-
  • Guanidine, (4-cyanophenyl)-
  • 4-Cyanophenylguanidine
  • 1-(4-Cyanophenyl)guanidine
  • 2-(4-Cyanophenyl)guanidine

Work with N-(4-Cyanophenyl)guanidine

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

Phenylguanidine bicarbonate6685-76-347 % similar 4-Hydrazinobenzonitrile monohydrochloride2863-98-147 % similar 1,4-Dicyanobenzene623-26-744 % similar 4-Guanidinobenzoic acid hydrochloride42823-46-144 % similar Phenylbiguanide102-02-343 % similar 4-Cyanobenzamide3034-34-243 % similar N-(4-Cyanophenyl)glycine42288-26-643 % similar 4-Aminobenzonitrile873-74-541 % similar

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

Same formula

5-(4-Methylphenyl)-2H-tetrazole24994-04-5 Hydralazine86-54-4

Elsewhere

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