1,2-dimethylpiperazine dihydrochloride

• ChemBase ID: 15807
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: C1NCC(N(C1)C)C.Cl.Cl
• Canonical SMILES: CN1CCNCC1C.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-6-5-7-3-4-8(6)2;;/h6-7H,3-5H2,1-2H3;2*1H
• InChIKey: FDTROTPXJOUASG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethylpiperazine dihydrochloride
• IUPAC Traditional name: 1,2-dimethylpiperazine dihydrochloride
• Synonyms: 1,2-Dimethylpiperazine dihydrochloride

Database IDs

• MDL Number: MFCD06800619
• PubChem SID: 160979114
• PubChem CID: 22557459

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4545536
• LogD (pH = 7.4): -2.1590307
• Log P: 0.07081613
• Molar Refractivity: 35.1623 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 0.111

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%