(3S)-3-methylmorpholine hydrochloride

• ChemBase ID: 288844
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: C[C@@H]1NCCOC1.Cl
• Canonical SMILES: C[C@H]1COCCN1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c1-5-4-7-3-2-6-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1
• InChIKey: MSOCQCWIEBVSLF-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-methylmorpholine hydrochloride
• IUPAC Traditional name: (3S)-3-methylmorpholine hydrochloride
• Synonyms: (S)-3-Methylmorpholine hydrochloride

Database IDs

• CAS Number: 1022094-03-6
• MDL Number: MFCD18382512
• PubChem SID: 180674375
• PubChem CID: 53486469

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8545377
• LogD (pH = 7.4): -1.2097597
• Log P: 0.0051961015
• Molar Refractivity: 28.1867 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%