1-(oxolan-3-yl)propan-2-amine

• ChemBase ID: 238005
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: O1CC(CC(N)C)CC1
• Canonical SMILES: CC(CC1COCC1)N
• InChI: InChI=1S/C7H15NO/c1-6(8)4-7-2-3-9-5-7/h6-7H,2-5,8H2,1H3
• InChIKey: WLKLSUSLRNERQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxolan-3-yl)propan-2-amine
• IUPAC Traditional name: 1-(oxolan-3-yl)propan-2-amine
• Synonyms: 1-(oxolan-3-yl)propan-2-amine

Database IDs

• MDL Number: MFCD08453595
• PubChem SID: 164293915
• PubChem CID: 21054630

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8146217
• LogD (pH = 7.4): -2.5130372
• Log P: 0.21290301
• Molar Refractivity: 37.6311 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.0040

Product Information

• Purity: 95%