2-cyclopropylpiperazine

• ChemBase ID: 77778
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N1CCNCC1C1CC1
• Canonical SMILES: C1CNC(CN1)C1CC1
• InChI: InChI=1S/C7H14N2/c1-2-6(1)7-5-8-3-4-9-7/h6-9H,1-5H2
• InChIKey: SXGUFQFMTFDRMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylpiperazine
• IUPAC Traditional name: 2-cyclopropylpiperazine
• Synonyms: 2-Cyclopropylpiperazine

Database IDs

• CAS Number: 111759-96-7
• PubChem SID: 162042647
• PubChem CID: 19763540

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3349295
• LogD (pH = 7.4): -2.1647952
• Log P: 0.111537516
• Molar Refractivity: 37.061 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%