methyl (6R)-6-methylmorpholine-2-carboxylate hydrochloride

• ChemBase ID: 238235
• Molecular Formular: C7H14ClNO3
• Molecular Mass: 195.64396
• Monoisotopic Mass: 195.06622099
• SMILES: C1(O[C@@H](CNC1)C)C(=O)OC.Cl
• Canonical SMILES: COC(=O)C1CNC[C@H](O1)C.Cl
• InChI: InChI=1S/C7H13NO3.ClH/c1-5-3-8-4-6(11-5)7(9)10-2;/h5-6,8H,3-4H2,1-2H3;1H/t5-,6?;/m1./s1
• InChIKey: MMUZHRYXGJOWPH-VQALBSKCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (6R)-6-methylmorpholine-2-carboxylate hydrochloride
• IUPAC Traditional name: methyl (6R)-6-methylmorpholine-2-carboxylate hydrochloride
• Synonyms: methyl (6R)-6-methylmorpholine-2-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD22375358
• PubChem SID: 164294145
• PubChem CID: 71756125

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1836758
• LogD (pH = 7.4): -0.5397768
• Log P: -0.15897025
• Molar Refractivity: 38.7857 cm^3
• Polarizability: 15.927211 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 0.1

Product Information

• Purity: 95%