1-(Cyclopropylcarbonyl)piperazine Hydrochloride - CAS 1021298-67-8
Catalog: |
BB062609 |
Product Name: |
1-(Cyclopropylcarbonyl)piperazine Hydrochloride |
CAS: |
1021298-67-8 |
Synonyms: |
(Cyclopropyl)(piperazin-1-yl)methanone Hydrochloride; Cyclopropyl(piperazin-1-yl)methanone Hydrochloride |
IUPAC Name: | cyclopropyl(piperazin-1-yl)methanonehydrochloride |
Description: | 1-(Cyclopropylcarbonyl)piperazine Hydrochloride is a reagent used in the synthesis of Esaprazole analogs showing σ1 binding and neuroprotective properties in vitro. |
Molecular Weight: | 154.21 + (36.46) |
Molecular Formula: | C8H14N2O·(HCl) |
Canonical SMILES: | C1CC1C(=O)N2CCNCC2.Cl |
InChI: | InChI=1S/C8H14N2O.ClH/c11-8(7-1-2-7)10-5-3-9-4-6-10/h7,9H,1-6H21H |
InChI Key: | WIHDAPMHNYYTOA-UHFFFAOYSA-N |
References: | Kelly, N. M., et al. Bioorg. Med. Chem., 21, 3334 (2013). |
GHS Hazard Statement: | H228 (96.97%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P313, P337+P317, P362+P364, P370+P378, and P501 |
Signal Word: | Warning |
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Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.0872908 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.0872908 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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