ethyl morpholine-2-carboxylate

• ChemBase ID: 88438
• Molecular Formular: C7H13NO3
• Molecular Mass: 159.18302
• Monoisotopic Mass: 159.08954328
• SMILES: N1CCOC(C1)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1CNCCO1
• InChI: InChI=1S/C7H13NO3/c1-2-10-7(9)6-5-8-3-4-11-6/h6,8H,2-5H2,1H3
• InChIKey: PTWKMUDNOPBYJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl morpholine-2-carboxylate
• IUPAC Traditional name: ethyl morpholine-2-carboxylate
• Synonyms: Ethyl 2-morpholinecarboxylate; 2-(Ethoxycarbonyl)morpholine; Ethyl morpholine-2-carboxylate

Database IDs

• CAS Number: 135782-25-1; 107904-06-3
• MDL Number: MFCD08751336
• PubChem SID: 162075395
• PubChem CID: 15651197

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0903497
• LogD (pH = 7.4): -0.5119204
• 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

Physical Property

• Boiling Point: 103-105°C/1mm
• Hydrophobicity(logP): 0.11

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%; 95+%