2-Chloro-1-(4-methyl-1-piperazinyl)ethanone Hydrochloride - CAS 42951-91-7
Catalog: |
BB025290 |
Product Name: |
2-Chloro-1-(4-methyl-1-piperazinyl)ethanone Hydrochloride |
CAS: |
42951-91-7 |
Synonyms: |
2-chloro-1-(4-methyl-1-piperazinyl)ethanone;hydrochloride; 2-chloro-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride |
IUPAC Name: | 2-chloro-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride |
Description: | 2-Chloro-1-(4-methyl-1-piperazinyl)ethanone Hydrochloride (CAS# 42951-91-7) is a useful research chemical. |
Molecular Weight: | 213.10 |
Molecular Formula: | C7H14Cl2N2O |
Canonical SMILES: | CN1CCN(CC1)C(=O)CCl.Cl |
InChI: | InChI=1S/C7H13ClN2O.ClH/c1-9-2-4-10(5-3-9)7(11)6-8;/h2-6H2,1H3;1H |
InChI Key: | XFUOEOASGSUIBP-UHFFFAOYSA-N |
LogP: | 0.67700 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3628672-A1 | Indane derivatives for use in the treatment of bacterial infection | 20180925 |
WO-2020064175-A1 | Indane derivatives for use in the treatment of bacterial infection | 20180925 |
CN-113166084-A | Indane derivatives for the treatment of bacterial infections | 20180925 |
KR-20210087025-A | Indane derivatives used in the prevention or treatment of bacterial infections | 20180925 |
WO-2017162510-A1 | Substituted quinazolinone compounds for the treatment of proliferative diseases | 20160324 |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0483185 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0483185 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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