4-(4-chlorophenyl)piperazin-1-amine

• ChemBase ID: 239785
• Molecular Formular: C10H14ClN3
• Molecular Mass: 211.69126
• Monoisotopic Mass: 211.08762514
• SMILES: N1(c2ccc(cc2)Cl)CCN(CC1)N
• Canonical SMILES: NN1CCN(CC1)c1ccc(cc1)Cl
• InChI: InChI=1S/C10H14ClN3/c11-9-1-3-10(4-2-9)13-5-7-14(12)8-6-13/h1-4H,5-8,12H2
• InChIKey: YWZNDXPNRHORKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenyl)piperazin-1-amine
• IUPAC Traditional name: 4-(4-chlorophenyl)piperazin-1-amine
• Synonyms: 4-(4-chlorophenyl)piperazin-1-amine

Database IDs

• MDL Number: MFCD02271426
• PubChem SID: 164295695
• PubChem CID: 12639154

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0831348
• LogD (pH = 7.4): 1.466342
• Log P: 1.4742643
• Molar Refractivity: 60.5309 cm^3
• Polarizability: 22.807854 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.656

Product Information

• Purity: 95%