1-cyclopropylguanidine

• ChemBase ID: 308661
• Molecular Formular: C4H9N3
• Molecular Mass: 99.13436
• Monoisotopic Mass: 99.0796473
• SMILES: C(=N)(NC1CC1)N
• Canonical SMILES: NC(=N)NC1CC1
• InChI: InChI=1S/C4H9N3/c5-4(6)7-3-1-2-3/h3H,1-2H2,(H4,5,6,7)
• InChIKey: AYTUUEWDUBHMBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylguanidine
• IUPAC Traditional name: 1-cyclopropylguanidine
• Synonyms: N-cyclopropylguanidine

Database IDs

• CAS Number: 168627-33-6
• MDL Number: MFCD05022503

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.9091158
• LogD (pH = 7.4): -2.9084785
• Log P: -0.49366507
• Molar Refractivity: 37.8446 cm^3
• Polarizability: 10.38061 Å^3
• Polar Surface Area: 61.9 Å^2