2-methylmorpholine hydrochloride

• ChemBase ID: 292735
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: Cl.CC1CNCCO1
• Canonical SMILES: CC1CNCCO1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c1-5-4-6-2-3-7-5;/h5-6H,2-4H2,1H3;1H
• InChIKey: PJYFXNZOOMGPIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylmorpholine hydrochloride
• IUPAC Traditional name: 2-methylmorpholine hydrochloride
• Synonyms: 2-Methylmorpholine hydrochloride

Database IDs

• CAS Number: 59229-57-1
• PubChem SID: 180678266
• PubChem CID: 22605557

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: 95+%