Benzoguanamine

C₉H₉N₅CAS 91-76-9187.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉N₅
Molar mass: 187.21 g/mol
Exact mass: 187.0858 Da
Density: 1.4 g/mL (at 25 °C)
Melting point: 227–228 °C
Water solubility: 600 mg/L
logP: 0.36Crippen estimate
Polar surface area: 92.2 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number

91-76-9

SMILES

N=c1nc(-c2ccccc2)[nH]c(=N)[nH]1

InChIKey

GZVHEAJQGPRDLQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)

Weigh it out

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

Names and synonyms

16 names · show all

1,3,5-Triazine-2,4-diamine, 6-phenyl-
s-Triazine, 2,4-diamino-6-phenyl-
6-Phenyl-1,3,5-triazine-2,4-diamine
Benzoguanimine
4,6-Diamino-2-phenyl-s-triazine
2,4-Diamino-6-phenyl-s-triazine
2-Phenyl-4,6-diamino-1,3,5-triazine
ENT 60118
2,4-Diamino-6-phenyl-1,3,5-triazine
2-Phenyl-4,6-diamino-s-triazine
2,6-Diamino-4-phenyl-1,3,5-triazine
NSC 3267
Nikaganamine
Benzoquanamine
6-Phenyl-2,4-diamino-1,3,5-triazine
2,4-Diamino-6-phenyltriazine

Reactions

BENZOGUANAMINE (s-Triazine, 2,4-diamino-6-phenyl-)product

Work with Benzoguanamine

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

Irsogladine57381-26-745 % similar Triamterene396-01-044 % similar 6-Chloro-1,3,5-triazine-2,4-diamine3397-62-444 % similar Acetoguanamine542-02-944 % similar 2-Phenylbenzimidazole716-79-044 % similar 2,4,5-Triphenylimidazole484-47-942 % similar 2-Aminobenzimidazole934-32-741 % similar 3-Phenyl-1,2,4-thiadiazol-5-amine17467-15-141 % similar

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

Elsewhere

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