1-(aminomethyl)cyclopropan-1-amine

• ChemBase ID: 278842
• Molecular Formular: C4H10N2
• Molecular Mass: 86.1356
• Monoisotopic Mass: 86.08439833
• SMILES: C1(CC1)(N)CN
• Canonical SMILES: NCC1(N)CC1
• InChI: InChI=1S/C4H10N2/c5-3-4(6)1-2-4/h1-3,5-6H2
• InChIKey: JATTWGKYNBEIMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(aminomethyl)cyclopropan-1-amine
• Synonyms: 1-(aminomethyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD17170796
• PubChem SID: 164334752
• PubChem CID: 11819042

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.6320467
• LogD (pH = 7.4): -3.4900525
• Log P: -1.0331094
• Molar Refractivity: 24.9694 cm^3
• Polarizability: 10.427217 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.678

Product Information

• Purity: 95%