N-(4-aminophenyl)-3-(dimethylamino)propanamide dihydrochloride

• ChemBase ID: 256302
• Molecular Formular: C11H19Cl2N3O
• Molecular Mass: 280.19406
• Monoisotopic Mass: 279.0905176
• SMILES: C(=O)(CCN(C)C)Nc1ccc(N)cc1.Cl.Cl
• Canonical SMILES: CN(CCC(=O)Nc1ccc(cc1)N)C.Cl.Cl
• InChI: InChI=1S/C11H17N3O.2ClH/c1-14(2)8-7-11(15)13-10-5-3-9(12)4-6-10;;/h3-6H,7-8,12H2,1-2H3,(H,13,15);2*1H
• InChIKey: QDFUBIZUPQHABW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-3-(dimethylamino)propanamide dihydrochloride
• IUPAC Traditional name: N-(4-aminophenyl)-3-(dimethylamino)propanamide dihydrochloride
• Synonyms: N-(4-aminophenyl)-3-(dimethylamino)propanamide dihydrochloride

Database IDs

• MDL Number: MFCD10686842
• PubChem SID: 164312212
• PubChem CID: 43810627

CALCULATED PROPERTIES

• Acid pKa: 15.829038
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7683418
• LogD (pH = 7.4): -1.2361145
• Log P: 0.51054144
• Molar Refractivity: 63.7498 cm^3
• Polarizability: 23.397284 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 233 - 235°C
• Hydrophobicity(logP): 0.267

Product Information

• Purity: 95%