2-amino-2-methyl-1-(morpholin-4-yl)propan-1-one hydrochloride

• ChemBase ID: 48847
• Molecular Formular: C8H17ClN2O2
• Molecular Mass: 208.68578
• Monoisotopic Mass: 208.09785547
• SMILES: C(=O)(N1CCOCC1)C(N)(C)C.Cl
• Canonical SMILES: O=C(C(N)(C)C)N1CCOCC1.Cl
• InChI: InChI=1S/C8H16N2O2.ClH/c1-8(2,9)7(11)10-3-5-12-6-4-10;/h3-6,9H2,1-2H3;1H
• InChIKey: QDCOOHOELLXQOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methyl-1-(morpholin-4-yl)propan-1-one hydrochloride
• IUPAC Traditional name: 2-amino-2-methyl-1-(morpholin-4-yl)propan-1-one hydrochloride
• Synonyms: 2-Amino-2-methyl-1-(4-morpholinyl)-1-propanone hydrochloride

Database IDs

• MDL Number: MFCD13562096
• PubChem SID: 162053610
• PubChem CID: 56831859

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5045464
• LogD (pH = 7.4): -1.9770538
• Log P: -0.72403634
• Molar Refractivity: 45.9007 cm^3
• Polarizability: 18.182564 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false