3-amino-1-(morpholin-4-yl)propan-1-one

• ChemBase ID: 18140
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: C(=O)(N1CCOCC1)CCN
• Canonical SMILES: NCCC(=O)N1CCOCC1
• InChI: InChI=1S/C7H14N2O2/c8-2-1-7(10)9-3-5-11-6-4-9/h1-6,8H2
• InChIKey: WVFZXCIIJBHBAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1-(morpholin-4-yl)propan-1-one
• IUPAC Traditional name: 3-amino-1-(morpholin-4-yl)propan-1-one
• Synonyms: 3-Amino-1-morpholin-4-yl-propan-1-one

Database IDs

• MDL Number: MFCD06212640
• PubChem SID: 160981447
• PubChem CID: 6504250

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.422605
• LogD (pH = 7.4): -3.1998675
• Log P: -1.4885538
• Molar Refractivity: 41.3929 cm^3
• Polarizability: 16.35 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false