(2S)-2-methylmorpholine hydrochloride

• ChemBase ID: 815660
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: Cl.C1[C@@H](OCCN1)C
• Canonical SMILES: C[C@H]1CNCCO1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c1-5-4-6-2-3-7-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1
• InChIKey: PJYFXNZOOMGPIL-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-methylmorpholine hydrochloride
• IUPAC Traditional name: (2S)-2-methylmorpholine hydrochloride
• Synonyms: (S)-2-methylmorpholine hydrochloride

Database IDs

• CAS Number: 1147108-99-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8727734
• LogD (pH = 7.4): -1.2392805
• 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: 98%