methyl morpholine-2-carboxylate hydrochloride

• ChemBase ID: 70266
• Molecular Formular: C6H12ClNO3
• Molecular Mass: 181.61738
• Monoisotopic Mass: 181.05057093
• SMILES: N1CC(OCC1)C(=O)OC.Cl
• Canonical SMILES: COC(=O)C1CNCCO1.Cl
• InChI: InChI=1S/C6H11NO3.ClH/c1-9-6(8)5-4-7-2-3-10-5;/h5,7H,2-4H2,1H3;1H
• InChIKey: DYMNXWIUMADROW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl morpholine-2-carboxylate hydrochloride
• IUPAC Traditional name: methyl morpholine-2-carboxylate hydrochloride
• Synonyms: Methyl morpholine-2-carboxylate hydrochloride

Database IDs

• CAS Number: 937063-34-8
• MDL Number: MFCD17167182
• PubChem SID: 162035989
• PubChem CID: 50988571

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4471653
• LogD (pH = 7.4): -0.86873233
• Log P: -0.57554525
• Molar Refractivity: 34.3669 cm^3
• Polarizability: 14.102353 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): -0.419

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%