methyl 2-(morpholin-4-yl)acetate hydrochloride

• ChemBase ID: 54272
• Molecular Formular: C7H14ClNO3
• Molecular Mass: 195.64396
• Monoisotopic Mass: 195.06622099
• SMILES: N1(CCOCC1)CC(=O)OC.Cl
• Canonical SMILES: COC(=O)CN1CCOCC1.Cl
• InChI: InChI=1S/C7H13NO3.ClH/c1-10-7(9)6-8-2-4-11-5-3-8;/h2-6H2,1H3;1H
• InChIKey: QQEFVDXETIPWFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(morpholin-4-yl)acetate hydrochloride
• IUPAC Traditional name: methyl 2-(morpholin-4-yl)acetate hydrochloride
• Synonyms: Morpholin-4-yl-acetic acid methyl ester hydrochloride

Database IDs

• CAS Number: 67067-94-1
• MDL Number: MFCD00171476
• PubChem SID: 162059035
• PubChem CID: 44119789

CALCULATED PROPERTIES

• Log P: -0.40445364
• Molar Refractivity: 39.9163 cm^3
• Polarizability: 15.927211 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5060515
• LogD (pH = 7.4): -0.40589237

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%