butyl[3-(morpholin-4-yl)propyl]amine

• ChemBase ID: 11693
• Molecular Formular: C11H24N2O
• Molecular Mass: 200.32106
• Monoisotopic Mass: 200.1888634
• SMILES: N1(CCCNCCCC)CCOCC1
• Canonical SMILES: CCCCNCCCN1CCOCC1
• InChI: InChI=1S/C11H24N2O/c1-2-3-5-12-6-4-7-13-8-10-14-11-9-13/h12H,2-11H2,1H3
• InChIKey: AWXNXBGZWQGAMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl[3-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: butyl[3-(morpholin-4-yl)propyl]amine
• Synonyms: Butyl-(3-morpholin-4-yl-propyl)-amine

Database IDs

• CAS Number: 137048-94-3
• MDL Number: MFCD03701722
• PubChem SID: 160975000
• PubChem CID: 3151943

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9126675
• LogD (pH = 7.4): -1.9903189
• Log P: 0.99112433
• Molar Refractivity: 60.526 cm^3
• Polarizability: 24.013033 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false