1-cyclopropylpiperazine dihydrochloride

• ChemBase ID: 77688
• Molecular Formular: C7H16Cl2N2
• Molecular Mass: 199.12134
• Monoisotopic Mass: 198.06905388
• SMILES: N1(C2CC2)CCNCC1.Cl.Cl
• Canonical SMILES: N1CCN(CC1)C1CC1.Cl.Cl
• InChI: InChI=1S/C7H14N2.2ClH/c1-2-7(1)9-5-3-8-4-6-9;;/h7-8H,1-6H2;2*1H
• InChIKey: JDJNSFSTSJWJFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylpiperazine dihydrochloride
• IUPAC Traditional name: 1-cyclopropylpiperazine dihydrochloride
• Synonyms: 1-Cyclopropylpiperazine dihydrochloride; 1-Cyclopropylpiperazine dihydrochloride; 1-环丙基哌嗪 二盐酸盐

Database IDs

• CAS Number: 139256-79-4
• MDL Number: MFCD00040810
• PubChem SID: 162042560
• PubChem CID: 21220812

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2888274
• LogD (pH = 7.4): -1.9382324
• Log P: 0.11980564
• Molar Refractivity: 37.9547 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: UN1759
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%