4-methylmorpholine hydrochloride

• ChemBase ID: 103402
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: Cl.CN1CCOCC1
• Canonical SMILES: CN1CCOCC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c1-6-2-4-7-5-3-6;/h2-5H2,1H3;1H
• InChIKey: BTJRKNUKPQBLAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylmorpholine hydrochloride
• IUPAC Traditional name: N-methylmorpholine hydrochloride
• Synonyms: N-METHYLMORPHOLINE

Database IDs

• CAS Number: 3651-67-0
• EC Number: 222-893-8
• PubChem SID: 162103265
• PubChem CID: 3083815

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.0323699
• LogD (pH = 7.4): -0.38977557
• Log P: -0.028330985
• Molar Refractivity: 29.0626 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

DETAILS

MP Biomedicals - 02151665

Hydrochloride
Crystalline