7-oxabicyclo[2.2.1]heptan-2-ylmethanamine

• ChemBase ID: 34557
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C1CC2CC(C1O2)CN
• Canonical SMILES: NCC1CC2OC1CC2
• InChI: InChI=1S/C7H13NO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-4,8H2
• InChIKey: HOGOLKHCHFSFKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-oxabicyclo[2.2.1]heptan-2-ylmethanamine
• IUPAC Traditional name: 7-oxabicyclo[2.2.1]heptan-2-ylmethanamine
• Synonyms: 1-(7-Oxabicyclo[2.2.1]hept-2-yl)methanamine; 7-oxabicyclo[2.2.1]heptan-2-ylmethanamine; (7-oxabicyclo[2.2.1]hept-2-ylmethyl)amine

Database IDs

• CAS Number: 153005-43-7
• MDL Number: MFCD12027104
• PubChem SID: 160997864
• PubChem CID: 12282092

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.103885
• LogD (pH = 7.4): -2.6437342
• Log P: -0.08135235
• Molar Refractivity: 35.3939 cm^3
• Polarizability: 14.382755 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.528

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%