N-benzyloxan-4-amine

• ChemBase ID: 288315
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C1(NCc2ccccc2)CCOCC1
• Canonical SMILES: O1CCC(CC1)NCc1ccccc1
• InChI: InChI=1S/C12H17NO/c1-2-4-11(5-3-1)10-13-12-6-8-14-9-7-12/h1-5,12-13H,6-10H2
• InChIKey: NLTUORBOSAQIDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyloxan-4-amine
• IUPAC Traditional name: N-benzyloxan-4-amine
• Synonyms: N-Benzyltetrahydro-2H-pyran-4-amine

Database IDs

• CAS Number: 443344-23-8
• PubChem SID: 180673846
• PubChem CID: 22273675

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7144481
• LogD (pH = 7.4): -0.86838704
• Log P: 1.4927807
• Molar Refractivity: 57.7815 cm^3
• Polarizability: 22.884024 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%