(2,2,3,3,5,5,6,6-2H8)piperazine

• ChemBase ID: 176758
• Molecular Formular: C4H10N2
• Molecular Mass: 86.1356
• Monoisotopic Mass: 86.08439833
• SMILES: C1NCCNC1
• Canonical SMILES: N1CCNCC1
• InChI: InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
• InChIKey: GLUUGHFHXGJENI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2,3,3,5,5,6,6-^2H₈)piperazine
• IUPAC Traditional name: (2,2,3,3,5,5,6,6-^2H₈)piperazine
• Synonyms: Piperazine-2,2,3,3,5,5,6,6-d8 Dihydrochloride; Ascarex D-d8; Diethylenediamine-d8 Dihydrochloride; Dihydro Pip Wormer-d8; Dowzene DHC-d8; Piperazinium-d8 Dichloride; Piperazine-d8 Dihydrochloride

Database IDs

• CAS Number: 849482-21-9
• PubChem SID: 164232668
• PubChem CID: 16212918

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

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: White to Light-Brown Solid
• Melting Point: >240°C (dec.)

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - P480102

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)