propanimidamide

• ChemBase ID: 307225
• Molecular Formular: C3H8N2
• Molecular Mass: 72.10902
• Monoisotopic Mass: 72.06874827
• SMILES: C(=N)(N)CC
• Canonical SMILES: CCC(=N)N
• InChI: InChI=1S/C3H8N2/c1-2-3(4)5/h2H2,1H3,(H3,4,5)
• InChIKey: GNFWGDKKNWGGJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propanimidamide
• IUPAC Traditional name: propamidine
• Synonyms: propanimidamide

Database IDs

• CAS Number: 39800-84-5
• MDL Number: MFCD00939262

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.675379
• LogD (pH = 7.4): -2.675066
• Log P: -0.2599243
• Molar Refractivity: 31.6869 cm^3
• Polarizability: 8.11801 Å^3
• Polar Surface Area: 49.87 Å^2