1,1-diaminoguanidine

• ChemBase ID: 104894
• Molecular Formular: CH7N5
• Molecular Mass: 89.09978
• Monoisotopic Mass: 89.07014525
• SMILES: NN(N)C(=N)N
• Canonical SMILES: NC(=N)N(N)N
• InChI: InChI=1S/CH7N5/c2-1(3)6(4)5/h4-5H2,(H3,2,3)
• InChIKey: FQQQSNAVVZSYMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-diaminoguanidine
• IUPAC Traditional name: 1,1-diaminoguanidine
• Synonyms: N,N'-DIAMINOGUANIDINE

Database IDs

• CAS Number: 36062-19-8
• EC Number: 252-854-0
• PubChem SID: 162092195
• PubChem CID: 151203

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -4.256359
• LogD (pH = 7.4): -4.229373
• Log P: -1.819357
• Molar Refractivity: 35.2058 cm^3
• Polarizability: 8.480645 Å^3
• Polar Surface Area: 105.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C, Desiccate

DETAILS

MP Biomedicals - 02157583

Monohydrochloride