2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide hydrochloride

• ChemBase ID: 262780
• Molecular Formular: C11H22Cl2N2O2
• Molecular Mass: 285.21058
• Monoisotopic Mass: 284.10583331
• SMILES: N1(CC(OC(C1)C)C)CCCNC(=O)CCl.Cl
• Canonical SMILES: ClCC(=O)NCCCN1CC(C)OC(C1)C.Cl
• InChI: InChI=1S/C11H21ClN2O2.ClH/c1-9-7-14(8-10(2)16-9)5-3-4-13-11(15)6-12;/h9-10H,3-8H2,1-2H3,(H,13,15);1H
• InChIKey: NJVPCDUKMSTADZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide hydrochloride
• Synonyms: 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide hydrochloride

Database IDs

• MDL Number: MFCD13195880
• PubChem SID: 164318690
• PubChem CID: 45792160

CALCULATED PROPERTIES

• Acid pKa: 13.540108
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6742662
• LogD (pH = 7.4): 0.0041904254
• Log P: 0.4239854
• Molar Refractivity: 64.9124 cm^3
• Polarizability: 25.548155 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.218

Product Information

• Purity: 95%