4-(2,6-dimethylmorpholin-4-yl)butan-1-amine dihydrochloride

• ChemBase ID: 259050
• Molecular Formular: C10H24Cl2N2O
• Molecular Mass: 259.21636
• Monoisotopic Mass: 258.12656876
• SMILES: N1(CC(OC(C1)C)C)CCCCN.Cl.Cl
• Canonical SMILES: NCCCCN1CC(C)OC(C1)C.Cl.Cl
• InChI: InChI=1S/C10H22N2O.2ClH/c1-9-7-12(6-4-3-5-11)8-10(2)13-9;;/h9-10H,3-8,11H2,1-2H3;2*1H
• InChIKey: XNVDCGWCCCDNET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11857924
• PubChem SID: 164314960
• PubChem CID: 42943444

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.287047
• LogD (pH = 7.4): -3.1099546
• Log P: 0.5851577
• Molar Refractivity: 55.36 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): 0.786

Product Information

• Purity: 95%