N-aminocyclopropanecarboximidamide hydrochloride

• ChemBase ID: 265570
• Molecular Formular: C4H10ClN3
• Molecular Mass: 135.5953
• Monoisotopic Mass: 135.05632502
• SMILES: C1(C(=N)NN)CC1.Cl
• Canonical SMILES: NNC(=N)C1CC1.Cl
• InChI: InChI=1S/C4H9N3.ClH/c5-4(7-6)3-1-2-3;/h3H,1-2,6H2,(H2,5,7);1H
• InChIKey: UTKJAVUSSKTANI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-aminocyclopropanecarboximidamide hydrochloride
• IUPAC Traditional name: N-aminocyclopropanecarboximidamide hydrochloride
• Synonyms: N-aminocyclopropanecarboximidamide hydrochloride

Database IDs

• MDL Number: MFCD14705795
• PubChem SID: 164321480
• PubChem CID: 13117503

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.8374248
• LogD (pH = 7.4): -2.8104515
• Log P: -0.41230628
• Molar Refractivity: 49.4361 cm^3
• Polarizability: 10.663112 Å^3
• Polar Surface Area: 61.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): -0.224

Product Information

• Purity: 95%