2-(2,6-dimethylmorpholin-4-yl)propan-1-amine hydrochloride

• ChemBase ID: 255774
• Molecular Formular: C9H21ClN2O
• Molecular Mass: 208.72884
• Monoisotopic Mass: 208.13424098
• SMILES: N1(CC(OC(C1)C)C)C(CN)C.Cl
• Canonical SMILES: NCC(N1CC(C)OC(C1)C)C.Cl
• InChI: InChI=1S/C9H20N2O.ClH/c1-7(4-10)11-5-8(2)12-9(3)6-11;/h7-9H,4-6,10H2,1-3H3;1H
• InChIKey: IGCHTYKMLVQUBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylmorpholin-4-yl)propan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2,6-dimethylmorpholin-4-yl)propan-1-amine hydrochloride
• Synonyms: 2-(2,6-dimethylmorpholin-4-yl)propan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD10666936
• PubChem SID: 164311684
• PubChem CID: 42933679

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2453783
• LogD (pH = 7.4): -1.5835749
• Log P: 0.42441028
• Molar Refractivity: 50.2688 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193 - 195°C
• Hydrophobicity(logP): 0.936

Product Information

• Purity: 95%