ethyl morpholine-3-carboxylate hydrochloride

• ChemBase ID: 51448
• Molecular Formular: C7H14ClNO3
• Molecular Mass: 195.64396
• Monoisotopic Mass: 195.06622099
• SMILES: N1C(COCC1)C(=O)OCC.Cl
• Canonical SMILES: CCOC(=O)C1COCCN1.Cl
• InChI: InChI=1S/C7H13NO3.ClH/c1-2-11-7(9)6-5-10-4-3-8-6;/h6,8H,2-5H2,1H3;1H
• InChIKey: RERWECVXIGGYMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl morpholine-3-carboxylate hydrochloride
• IUPAC Traditional name: ethyl morpholine-3-carboxylate hydrochloride
• Synonyms: Ethyl morpholine-3-carboxylate hydrochloride

Database IDs

• CAS Number: 84005-98-1
• MDL Number: MFCD12755498
• PubChem SID: 162056211
• PubChem CID: 22342694

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.27923122
• LogD (pH = 7.4): -0.21955378
• Log P: -0.21873732
• Molar Refractivity: 39.1155 cm^3
• Polarizability: 15.927211 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%