1-cyclopropanecarbonylpiperazine hydrochloride

• ChemBase ID: 45264
• Molecular Formular: C8H15ClN2O
• Molecular Mass: 190.6705
• Monoisotopic Mass: 190.08729079
• SMILES: C(=O)(C1CC1)N1CCNCC1.Cl
• Canonical SMILES: O=C(C1CC1)N1CCNCC1.Cl
• InChI: InChI=1S/C8H14N2O.ClH/c11-8(7-1-2-7)10-5-3-9-4-6-10;/h7,9H,1-6H2;1H
• InChIKey: WIHDAPMHNYYTOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonylpiperazine hydrochloride
• IUPAC Traditional name: 1-cyclopropanecarbonylpiperazine hydrochloride
• Synonyms: 1-(Cyclopropylcarbonyl)piperazine hydrochloride; Cyclopropyl(piperazin-1-yl)methan-1-one hydrochloride; 1-(Cyclopropylcarbonyl)piperazine hydrochloride 97%

Database IDs

• CAS Number: 59878-57-8
• MDL Number: MFCD03428576
• PubChem SID: 162050027
• PubChem CID: 20847955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6139505
• LogD (pH = 7.4): -0.8998991
• Log P: -0.33906832
• Molar Refractivity: 42.4139 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174-176°C
• Hydrophobicity(logP): -0.473

Safety Information

• Storage Warning: IRRITANT; Irritant/Corrosive/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl