(2,3,5,6-13C4)piperazine

• ChemBase ID: 176760
• Molecular Formular: C4H10N2
• Molecular Mass: 90.10621935
• Monoisotopic Mass: 90.09781768
• SMILES: [13CH2]1N[13CH2][13CH2]N[13CH2]1
• Canonical SMILES: N1[13CH2][13CH2]N[13CH2][13CH2]1
• InChI: InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2/i1+1,2+1,3+1,4+1
• InChIKey: GLUUGHFHXGJENI-JCDJMFQYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3,5,6-^1^3C₄)piperazine
• IUPAC Traditional name: (2,3,5,6-^1^3C₄)piperazine
• Synonyms: Piperazine-13C4 Dihydrochloride; Ascarex D-13C4; Diethylenediamine-13C4 Dihydrochloride; Dihydro Pip Wormer-13C4; Dowzene DHC-13C4; Piperazinium-13C4 Dichloride; Piperazine-13C4 Dihydrochloride

Database IDs

• CAS Number: 1323940-30-2
• PubChem SID: 164232670
• PubChem CID: 49849339

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.077815
• LogD (pH = 7.4): -2.859133
• Log P: -0.72880685
• Molar Refractivity: 25.4488 cm^3
• Polarizability: 10.427217 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - P480104

Labelled Piperazine. Anthelmintic (Nematodes).

REFERENCES

• Drudge, J.H., et al.: Am. J. Vet. Res., 35, 67 (1974)
• Nanivadekar, et al.: J. Postgrad. Med., 30, 144 (1974)