1-aminoguanidine

• ChemBase ID: 2264
• Molecular Formular: CH6N4
• Molecular Mass: 74.08514
• Monoisotopic Mass: 74.05924621
• SMILES: NNC(=N)N
• Canonical SMILES: NNC(=N)N
• InChI: InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
• InChIKey: HAMNKKUPIHEESI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminoguanidine
• IUPAC Traditional name: aminoguanidine
• Synonyms: Aminoguanidine

Database IDs

• CAS Number: 79-17-4
• PubChem SID: 46506441; 160965717
• PubChem CID: 2146

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -3.9215941
• LogD (pH = 7.4): -3.8816965
• Log P: -1.4684814
• Molar Refractivity: 40.8357 cm^3
• Polarizability: 7.0459237 Å^3
• Polar Surface Area: 87.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -1.76
• LOG S: -0.95
• Solubility (Water): 8.36e+00 g/l

DETAILS

DrugBank - DB02533

Drug information: experimental