2-cyclopropyloxolan-3-amine

• ChemBase ID: 244333
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C1(CC1)C1OCCC1N
• Canonical SMILES: NC1CCOC1C1CC1
• InChI: InChI=1S/C7H13NO/c8-6-3-4-9-7(6)5-1-2-5/h5-7H,1-4,8H2
• InChIKey: IJNIVGLVDMZFHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyloxolan-3-amine
• IUPAC Traditional name: 2-cyclopropyloxolan-3-amine
• Synonyms: 2-cyclopropyloxolan-3-amine

Database IDs

• MDL Number: MFCD21864224
• PubChem SID: 164300243
• PubChem CID: 71683251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8882878
• LogD (pH = 7.4): -2.1106126
• Log P: 0.11611184
• Molar Refractivity: 35.1411 cm^3
• Polarizability: 14.382755 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.169

Product Information

• Purity: 95%