1-cyclopropylethane-1,2-diamine

• ChemBase ID: 267126
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: C1(CC1)C(N)CN
• Canonical SMILES: NCC(C1CC1)N
• InChI: InChI=1S/C5H12N2/c6-3-5(7)4-1-2-4/h4-5H,1-3,6-7H2
• InChIKey: HFFYPAUHJWQGKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylethane-1,2-diamine
• IUPAC Traditional name: 1-cyclopropylethane-1,2-diamine
• Synonyms: 1-cyclopropylethane-1,2-diamine

Database IDs

• MDL Number: MFCD12109300
• PubChem SID: 164323036
• PubChem CID: 20060494

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.270494
• LogD (pH = 7.4): -3.151391
• Log P: -0.5820983
• Molar Refractivity: 29.4808 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.269

Product Information

• Purity: 95%