1-cyclopropylpiperazine

• ChemBase ID: 68470
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N1(CCNCC1)C1CC1
• Canonical SMILES: N1CCN(CC1)C1CC1
• InChI: InChI=1S/C7H14N2/c1-2-7(1)9-5-3-8-4-6-9/h7-8H,1-6H2
• InChIKey: HNZJIWIXRPBFAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylpiperazine
• IUPAC Traditional name: 1-cyclopropylpiperazine
• Synonyms: 1-Cyclopropylpiperazine; (Piperazin-1-yl)cyclopropane

Database IDs

• CAS Number: 20327-23-5
• MDL Number: MFCD06254805
• PubChem SID: 162034201
• PubChem CID: 4742004

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

Physical Property

• Boiling Point: 43°C/7mm
• Refractive Index: 1.4804
• Hydrophobicity(logP): -0.144

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%