2-(morpholin-4-yl)propanenitrile

• ChemBase ID: 242359
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: N1(C(C#N)C)CCOCC1
• Canonical SMILES: CC(N1CCOCC1)C#N
• InChI: InChI=1S/C7H12N2O/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-5H2,1H3
• InChIKey: YRJOBFAKVQTZCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)propanenitrile
• IUPAC Traditional name: 2-(morpholin-4-yl)propanenitrile
• Synonyms: 2-(morpholin-4-yl)propanenitrile

Database IDs

• MDL Number: MFCD01714149
• PubChem SID: 164298269
• PubChem CID: 107134

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.06588486
• LogD (pH = 7.4): 0.076231904
• Log P: 0.07636543
• Molar Refractivity: 38.6204 cm^3
• Polarizability: 14.962807 Å^3
• Polar Surface Area: 36.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.031

Product Information

• Purity: 95%