1-cyclopropylethan-1-amine

• ChemBase ID: 289581
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: CC(N)C1CC1
• Canonical SMILES: CC(C1CC1)N
• InChI: InChI=1S/C5H11N/c1-4(6)5-2-3-5/h4-5H,2-3,6H2,1H3
• InChIKey: IXCXVGWKYIDNOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylethan-1-amine
• IUPAC Traditional name: 1-cyclopropylethanamine
• Synonyms: (1-cyclopropylethyl)amine; 1-Cyclopropylethanamine

Database IDs

• CAS Number: 1621-24-5
• MDL Number: MFCD04038983
• PubChem SID: 180675112
• PubChem CID: 519239

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4562607
• LogD (pH = 7.4): -2.171581
• Log P: 0.5716934
• Molar Refractivity: 26.2796 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%