methyl (3S)-morpholine-3-carboxylate hydrochloride

• ChemBase ID: 797289
• Molecular Formular: C6H12ClNO3
• Molecular Mass: 181.61738
• Monoisotopic Mass: 181.05057093
• SMILES: Cl.[C@H]1(COCCN1)C(=O)OC
• Canonical SMILES: COC(=O)[C@@H]1COCCN1.Cl
• InChI: InChI=1S/C6H11NO3.ClH/c1-9-6(8)5-4-10-3-2-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
• InChIKey: NSWULSIFJKMWPM-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (3S)-morpholine-3-carboxylate hydrochloride
• IUPAC Traditional name: methyl (3S)-morpholine-3-carboxylate hydrochloride
• Synonyms: (S)-Methyl Morpholine-3-carboxylate hydrochloride

Database IDs

• CAS Number: 1041173-28-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.63609815
• LogD (pH = 7.4): -0.5763626
• 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

Product Information

• Purity: 97%