2-cyclopropylethanimidamide hydrochloride

• ChemBase ID: 246607
• Molecular Formular: C5H11ClN2
• Molecular Mass: 134.60724
• Monoisotopic Mass: 134.06107604
• SMILES: C(=N)(CC1CC1)N.Cl
• Canonical SMILES: NC(=N)CC1CC1.Cl
• InChI: InChI=1S/C5H10N2.ClH/c6-5(7)3-4-1-2-4;/h4H,1-3H2,(H3,6,7);1H
• InChIKey: ZBEXMSIXOAUELM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylethanimidamide hydrochloride
• IUPAC Traditional name: 2-cyclopropylethanimidamide hydrochloride
• Synonyms: 2-cyclopropylethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD09028485
• PubChem SID: 164302517
• PubChem CID: 57460333

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4075158
• LogD (pH = 7.4): -2.407085
• Log P: 0.007937558
• Molar Refractivity: 39.0343 cm^3
• Polarizability: 11.0722275 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): -0.251

Product Information

• Purity: 95%