methyl[4-(morpholin-4-yl)butyl]amine

• ChemBase ID: 307245
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(CCCCNC)CCOCC1
• Canonical SMILES: CNCCCCN1CCOCC1
• InChI: InChI=1S/C9H20N2O/c1-10-4-2-3-5-11-6-8-12-9-7-11/h10H,2-9H2,1H3
• InChIKey: JCDQWSPFGGIJDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[4-(morpholin-4-yl)butyl]amine
• IUPAC Traditional name: methyl[4-(morpholin-4-yl)butyl]amine
• Synonyms: N-methyl-4-morpholin-4-ylbutan-1-amine

Database IDs

• CAS Number: 938459-05-3
• MDL Number: MFCD09055311

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.254041
• LogD (pH = 7.4): -3.1958904
• Log P: 0.18458802
• Molar Refractivity: 51.297 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2