1,3-diaminoguanidine

• ChemBase ID: 123959
• Molecular Formular: CH7N5
• Molecular Mass: 89.09978
• Monoisotopic Mass: 89.07014525
• SMILES: C(=N)(NN)NN
• Canonical SMILES: NNC(=N)NN
• InChI: InChI=1S/CH7N5/c2-1(5-3)6-4/h3-4H2,(H3,2,5,6)
• InChIKey: JGGFDEJXWLAQKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diaminoguanidine
• IUPAC Traditional name: 1,3-diaminoguanidine
• Synonyms: 1,3-diaminoguanidine

Database IDs

• PubChem SID: 162218312
• PubChem CID: 9566042

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 5
• LogD (pH = 5.5): -4.145295
• LogD (pH = 7.4): -4.1073804
• Log P: -1.7001238
• Molar Refractivity: 55.8126 cm^3
• Polarizability: 8.480645 Å^3
• Polar Surface Area: 99.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true