N,N-dimethyl-4-(piperazin-1-yl)aniline dihydrochloride

• ChemBase ID: 279271
• Molecular Formular: C12H21Cl2N3
• Molecular Mass: 278.22124
• Monoisotopic Mass: 277.11125305
• SMILES: N1(c2ccc(N(C)C)cc2)CCNCC1.Cl.Cl
• Canonical SMILES: CN(c1ccc(cc1)N1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C12H19N3.2ClH/c1-14(2)11-3-5-12(6-4-11)15-9-7-13-8-10-15;;/h3-6,13H,7-10H2,1-2H3;2*1H
• InChIKey: JCAMNIAWJFNIRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(piperazin-1-yl)aniline dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-4-(piperazin-1-yl)aniline dihydrochloride
• Synonyms: N,N-dimethyl-4-(piperazin-1-yl)aniline dihydrochloride

Database IDs

• MDL Number: MFCD20233641
• PubChem SID: 164335181
• PubChem CID: 54595221

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3935719
• LogD (pH = 7.4): 0.06569464
• Log P: 1.6534052
• Molar Refractivity: 65.6706 cm^3
• Polarizability: 24.469454 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.749

Product Information

• Purity: 95%