methyl[2-(morpholin-4-yl)propyl]amine

• ChemBase ID: 307447
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(C(CNC)C)CCOCC1
• Canonical SMILES: CNCC(N1CCOCC1)C
• InChI: InChI=1S/C8H18N2O/c1-8(7-9-2)10-3-5-11-6-4-10/h8-9H,3-7H2,1-2H3
• InChIKey: OURPSTJIJGVVIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: methyl[2-(morpholin-4-yl)propyl]amine
• Synonyms: N-methyl-2-morpholin-4-ylpropan-1-amine

Database IDs

• CAS Number: 938459-08-6
• MDL Number: MFCD09802317

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3493676
• LogD (pH = 7.4): -2.551682
• Log P: 0.023840623
• Molar Refractivity: 46.2058 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 24.5 Å^2