4-(morpholin-4-yl)butan-1-amine

• ChemBase ID: 258498
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CCCCN)CCOCC1
• Canonical SMILES: NCCCCN1CCOCC1
• InChI: InChI=1S/C8H18N2O/c9-3-1-2-4-10-5-7-11-8-6-10/h1-9H2
• InChIKey: DUYYFMPMGYATPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)butan-1-amine
• IUPAC Traditional name: 4-(morpholin-4-yl)butan-1-amine
• Synonyms: 4-(morpholin-4-yl)butan-1-amine

Database IDs

• CAS Number: 6321-07-9
• MDL Number: MFCD03161271
• PubChem SID: 164314408
• PubChem CID: 233611

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.6278024
• LogD (pH = 7.4): -3.459765
• Log P: -0.24799238
• Molar Refractivity: 46.5224 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.133

Product Information

• Purity: 95%