2-(pentan-3-yl)morpholine

• ChemBase ID: 282610
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N1CC(OCC1)C(CC)CC
• Canonical SMILES: CCC(C1OCCNC1)CC
• InChI: InChI=1S/C9H19NO/c1-3-8(4-2)9-7-10-5-6-11-9/h8-10H,3-7H2,1-2H3
• InChIKey: RBEAGKHPGPPBFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pentan-3-yl)morpholine
• IUPAC Traditional name: 2-(pentan-3-yl)morpholine
• Synonyms: 2-(1-ethylpropyl)morpholine

Database IDs

• MDL Number: MFCD18483352
• PubChem SID: 180668141
• PubChem CID: 54595437

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0973116
• LogD (pH = 7.4): 0.53542167
• Log P: 1.7818286
• Molar Refractivity: 46.3843 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.097

Product Information

• Purity: 95%