5-(morpholin-4-yl)pentan-1-amine

• ChemBase ID: 307135
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(CCCCCN)CCOCC1
• Canonical SMILES: NCCCCCN1CCOCC1
• InChI: InChI=1S/C9H20N2O/c10-4-2-1-3-5-11-6-8-12-9-7-11/h1-10H2
• InChIKey: ZFJWLGSTGJGINS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-yl)pentan-1-amine
• IUPAC Traditional name: 5-(morpholin-4-yl)pentan-1-amine
• Synonyms: (5-morpholin-4-ylpentyl)amine

Database IDs

• CAS Number: 39793-32-3
• MDL Number: MFCD00034762

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.0308256
• LogD (pH = 7.4): -2.899308
• Log P: 0.19657628
• Molar Refractivity: 51.1234 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 38.49 Å^2