(2S)-2-(methoxymethyl)morpholine hydrochloride

• ChemBase ID: 294648
• Molecular Formular: C6H14ClNO2
• Molecular Mass: 167.63386
• Monoisotopic Mass: 167.07130637
• SMILES: COC[C@@H]1CNCCO1.Cl
• Canonical SMILES: COC[C@@H]1CNCCO1.Cl
• InChI: InChI=1S/C6H13NO2.ClH/c1-8-5-6-4-7-2-3-9-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1
• InChIKey: NBPHWKGEMABLPV-RGMNGODLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(methoxymethyl)morpholine hydrochloride
• IUPAC Traditional name: (2S)-2-(methoxymethyl)morpholine hydrochloride
• Synonyms: (S)-2-(Methoxymethyl)morpholine hydrochloride

Database IDs

• CAS Number: 141196-38-5
• MDL Number: MFCD16294688
• PubChem SID: 180680179
• PubChem CID: 53338717

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1331248
• LogD (pH = 7.4): -1.4333522
• Log P: -0.39858738
• Molar Refractivity: 34.4816 cm^3
• Polarizability: 13.976185 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%