2-{bicyclo[2.2.1]heptan-2-yl}ethan-1-amine

• ChemBase ID: 265048
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: C12C(CC(C1)CC2)CCN
• Canonical SMILES: NCCC1CC2CC1CC2
• InChI: InChI=1S/C9H17N/c10-4-3-9-6-7-1-2-8(9)5-7/h7-9H,1-6,10H2
• InChIKey: HVBXSUGKPOUETE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{bicyclo[2.2.1]heptan-2-yl}ethan-1-amine
• IUPAC Traditional name: 2-{bicyclo[2.2.1]heptan-2-yl}ethanamine
• Synonyms: 2-{bicyclo[2.2.1]heptan-2-yl}ethan-1-amine

Database IDs

• MDL Number: MFCD10451172
• PubChem SID: 164320958
• PubChem CID: 20222870

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5026269
• LogD (pH = 7.4): -1.0776868
• Log P: 1.521183
• Molar Refractivity: 43.0358 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.79

Product Information

• Purity: 95%