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

• ChemBase ID: 283309
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(C(N)CC)COCC1
• Canonical SMILES: CCC(C1COCC1)N
• InChI: InChI=1S/C7H15NO/c1-2-7(8)6-3-4-9-5-6/h6-7H,2-5,8H2,1H3
• InChIKey: BCXBWUCRPJDKOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18366252
• PubChem SID: 180668840
• PubChem CID: 54595718

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6952398
• LogD (pH = 7.4): -2.398648
• Log P: 0.33241346
• Molar Refractivity: 37.4553 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%