morpholine-2-carbonitrile hydrochloride

• ChemBase ID: 271083
• Molecular Formular: C5H9ClN2O
• Molecular Mass: 148.59076
• Monoisotopic Mass: 148.0403406
• SMILES: N#CC1OCCNC1.Cl
• Canonical SMILES: C1NCCOC1C#N.Cl
• InChI: InChI=1S/C5H8N2O.ClH/c6-3-5-4-7-1-2-8-5;/h5,7H,1-2,4H2;1H
• InChIKey: ZMOKRKDCILYHIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-2-carbonitrile hydrochloride
• IUPAC Traditional name: morpholine-2-carbonitrile hydrochloride
• Synonyms: morpholine-2-carbonitrile hydrochloride

Database IDs

• CAS Number: 1205751-07-0
• MDL Number: MFCD14582597
• PubChem SID: 164326993
• PubChem CID: 50988628

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.280803
• LogD (pH = 7.4): -0.6803727
• Log P: -0.6634905
• Molar Refractivity: 28.5771 cm^3
• Polarizability: 11.296153 Å^3
• Polar Surface Area: 45.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): -1.073

Product Information

• Purity: 95%; 95+%