3-(cyclopropylmethyl)morpholine

• ChemBase ID: 796971
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C1(COCCN1)CC1CC1
• Canonical SMILES: C1CNC(CO1)CC1CC1
• InChI: InChI=1S/C8H15NO/c1-2-7(1)5-8-6-10-4-3-9-8/h7-9H,1-6H2
• InChIKey: PMRUVUSSJRXOGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopropylmethyl)morpholine
• IUPAC Traditional name: 3-(cyclopropylmethyl)morpholine
• Synonyms: 3-(CyclopropylMethyl)Morpholine

Database IDs

• CAS Number: 1337410-09-9

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -2.1339526
• LogD (pH = 7.4): -0.53850996
• Log P: 0.7955803
• Molar Refractivity: 40.0581 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Product Information

• Purity: 97%