benzyl(oxolan-2-ylmethyl)amine

• ChemBase ID: 13207
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: c1cccc(c1)CNCC1CCCO1
• Canonical SMILES: C1COC(C1)CNCc1ccccc1
• InChI: InChI=1S/C12H17NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-3,5-6,12-13H,4,7-10H2
• InChIKey: HKJDMUFGBWLGAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: benzyl(oxolan-2-ylmethyl)amine
• Synonyms: 1-phenyl-N-(tetrahydrofuran-2-ylmethyl)methanamine; Benzyl-(tetrahydro-furan-2-ylmethyl)-amine; benzyl(oxolan-2-ylmethyl)amine

Database IDs

• CAS Number: 183275-87-8
• MDL Number: MFCD03001392
• PubChem SID: 160976514
• PubChem CID: 3150961

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.183394
• LogD (pH = 7.4): 0.07452626
• Log P: 1.9501836
• Molar Refractivity: 57.5607 cm^3
• Polarizability: 22.884026 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.123

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%