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

• ChemBase ID: 48732
• Molecular Formular: C7H15ClN2O2
• Molecular Mass: 194.6592
• Monoisotopic Mass: 194.08220541
• SMILES: C(=O)(N1CCOCC1)C(N)C.Cl
• Canonical SMILES: CC(C(=O)N1CCOCC1)N.Cl
• InChI: InChI=1S/C7H14N2O2.ClH/c1-6(8)7(10)9-2-4-11-5-3-9;/h6H,2-5,8H2,1H3;1H
• InChIKey: YNWMLIPTMXEEGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13561994
• PubChem SID: 162053495
• PubChem CID: 22722814

CALCULATED PROPERTIES

• Polarizability: 16.35 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.806888
• LogD (pH = 7.4): -2.177295
• Log P: -1.1568023
• Molar Refractivity: 41.1874 cm^3

PROPERTIES

Physical Property

• Melting Point: 277 - 279°C
• Hydrophobicity(logP): -0.746

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%