azepan-4-amine

• ChemBase ID: 799526
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1CCC(CCC1)N
• Canonical SMILES: NC1CCNCCC1
• InChI: InChI=1S/C6H14N2/c7-6-2-1-4-8-5-3-6/h6,8H,1-5,7H2
• InChIKey: ZRNRPJNPCUSWGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azepan-4-amine
• IUPAC Traditional name: azepan-4-amine
• Synonyms: azepan-4-amine

Database IDs

• CAS Number: 108724-15-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.392768
• LogD (pH = 7.4): -4.590807
• Log P: -0.464338
• Molar Refractivity: 34.7198 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%