4-(morpholin-4-yl)butan-2-amine

• ChemBase ID: 30774
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CCC(N)C)CCOCC1
• Canonical SMILES: CC(CCN1CCOCC1)N
• InChI: InChI=1S/C8H18N2O/c1-8(9)2-3-10-4-6-11-7-5-10/h8H,2-7,9H2,1H3
• InChIKey: GWAZLPJZKQFTRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)butan-2-amine
• IUPAC Traditional name: 4-(morpholin-4-yl)butan-2-amine
• Synonyms: (1-methyl-3-morpholin-4-ylpropyl)amine; 1-Methyl-3-morpholin-4-yl-propylamine

Database IDs

• CAS Number: 18247-01-3
• MDL Number: MFCD08059765
• PubChem SID: 160994081
• PubChem CID: 16767299

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.7680926
• LogD (pH = 7.4): -3.1760273
• Log P: -0.34878004
• Molar Refractivity: 46.2966 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false