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

• ChemBase ID: 243613
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: O1C(C(N)CC)CCC1
• Canonical SMILES: CCC(C1CCCO1)N
• InChI: InChI=1S/C7H15NO/c1-2-6(8)7-4-3-5-9-7/h6-7H,2-5,8H2,1H3
• InChIKey: BHONVBPCNYEAAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20958759
• PubChem SID: 164299523
• PubChem CID: 65331373

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2771108
• LogD (pH = 7.4): -1.5643194
• Log P: 0.73222756
• Molar Refractivity: 37.1163 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): 0.753

Product Information

• Purity: 95%