N-(4-aminophenyl)-2-(dimethylamino)acetamide dihydrochloride

• ChemBase ID: 123519
• Molecular Formular: C10H17Cl2N3O
• Molecular Mass: 266.16748
• Monoisotopic Mass: 265.07486754
• SMILES: C(=O)(Nc1ccc(N)cc1)CN(C)C.Cl.Cl
• Canonical SMILES: CN(CC(=O)Nc1ccc(cc1)N)C.Cl.Cl
• InChI: InChI=1S/C10H15N3O.2ClH/c1-13(2)7-10(14)12-9-5-3-8(11)4-6-9;;/h3-6H,7,11H2,1-2H3,(H,12,14);2*1H
• InChIKey: PXDKLIHEXKRPSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-2-(dimethylamino)acetamide dihydrochloride
• IUPAC Traditional name: N-(4-aminophenyl)-2-(dimethylamino)acetamide dihydrochloride
• Synonyms: N-(4-aminophenyl)-2-(dimethylamino)acetamide dihydrochloride

Database IDs

• PubChem SID: 162217872
• PubChem CID: 51051888

CALCULATED PROPERTIES

• Acid pKa: 14.947074
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4835569
• LogD (pH = 7.4): 0.04310931
• Log P: 0.27352872
• Molar Refractivity: 59.0504 cm^3
• Polarizability: 21.554836 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl