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

• ChemBase ID: 234882
• Molecular Formular: C7H14ClNO3
• Molecular Mass: 195.64396
• Monoisotopic Mass: 195.06622099
• SMILES: C(C(=O)OC)C1OCCNC1.Cl
• Canonical SMILES: COC(=O)CC1CNCCO1.Cl
• InChI: InChI=1S/C7H13NO3.ClH/c1-10-7(9)4-6-5-8-2-3-11-6;/h6,8H,2-5H2,1H3;1H
• InChIKey: LNTJOZNLGYVWSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(morpholin-2-yl)acetate hydrochloride
• IUPAC Traditional name: methyl 2-(morpholin-2-yl)acetate hydrochloride
• Synonyms: methyl 2-(morpholin-2-yl)acetate hydrochloride

Database IDs

• MDL Number: MFCD11506162
• PubChem SID: 164290792
• PubChem CID: 71304368

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.869718
• LogD (pH = 7.4): -1.1408471
• Log P: -0.49072176
• Molar Refractivity: 38.9912 cm^3
• Polarizability: 15.927211 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 175 - 177°C
• Hydrophobicity(logP): -0.194

Product Information

• Purity: 95%