1-cyclopropyl-1-methylguanidine hydrochloride

• ChemBase ID: 243093
• Molecular Formular: C5H12ClN3
• Molecular Mass: 149.62188
• Monoisotopic Mass: 149.07197508
• SMILES: C(=N)(N(C1CC1)C)N.Cl
• Canonical SMILES: CN(C(=N)N)C1CC1.Cl
• InChI: InChI=1S/C5H11N3.ClH/c1-8(5(6)7)4-2-3-4;/h4H,2-3H2,1H3,(H3,6,7);1H
• InChIKey: GAGOCJPBJGPSTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-1-methylguanidine hydrochloride
• IUPAC Traditional name: 1-cyclopropyl-1-methylguanidine hydrochloride
• Synonyms: 1-cyclopropyl-1-methylguanidine hydrochloride

Database IDs

• MDL Number: MFCD22578589
• PubChem SID: 164299003
• PubChem CID: 71757163

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6471426
• LogD (pH = 7.4): -2.646721
• Log P: -0.23168902
• Molar Refractivity: 43.1393 cm^3
• Polarizability: 12.215329 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): -0.454

Product Information

• Purity: 95%