N,N-dimethylmorpholine-2-carboxamide hydrochloride

• ChemBase ID: 63008
• Molecular Formular: C7H15ClN2O2
• Molecular Mass: 194.6592
• Monoisotopic Mass: 194.08220541
• SMILES: C(=O)(C1OCCNC1)N(C)C.Cl
• Canonical SMILES: CN(C(=O)C1OCCNC1)C.Cl
• InChI: InChI=1S/C7H14N2O2.ClH/c1-9(2)7(10)6-5-8-3-4-11-6;/h6,8H,3-5H2,1-2H3;1H
• InChIKey: QXKXZYMYPQIHAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylmorpholine-2-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dimethylmorpholine-2-carboxamide hydrochloride
• Synonyms: Morpholine-2-carboxylic acid dimethylamide hydrochloride

Database IDs

• MDL Number: MFCD21606245
• PubChem SID: 162028747
• PubChem CID: 71298970

CALCULATED PROPERTIES

• Acid pKa: 18.05027
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2743776
• LogD (pH = 7.4): -1.5779811
• Log P: -1.0810298
• Molar Refractivity: 41.2134 cm^3
• Polarizability: 16.35 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false