2-chloro-N-[2-methyl-2-(morpholin-4-yl)propyl]acetamide hydrochloride

• ChemBase ID: 251597
• Molecular Formular: C10H20Cl2N2O2
• Molecular Mass: 271.184
• Monoisotopic Mass: 270.09018325
• SMILES: N1(C(CNC(=O)CCl)(C)C)CCOCC1.Cl
• Canonical SMILES: ClCC(=O)NCC(N1CCOCC1)(C)C.Cl
• InChI: InChI=1S/C10H19ClN2O2.ClH/c1-10(2,8-12-9(14)7-11)13-3-5-15-6-4-13;/h3-8H2,1-2H3,(H,12,14);1H
• InChIKey: BHPKYYQJVOWHKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-methyl-2-(morpholin-4-yl)propyl]acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-[2-methyl-2-(morpholin-4-yl)propyl]acetamide hydrochloride
• Synonyms: 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD09054652
• PubChem SID: 164307507
• PubChem CID: 17557964

CALCULATED PROPERTIES

• Acid pKa: 13.392788
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4186992
• LogD (pH = 7.4): 0.20962675
• Log P: 0.22802731
• Molar Refractivity: 60.2664 cm^3
• Polarizability: 23.717476 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.845

Product Information

• Purity: 95%
• Salt Data: HCl