1-(Cyclohexylcarbonyl)piperazine - CAS 27561-62-2
Catalog: |
BB019610 |
Product Name: |
1-(Cyclohexylcarbonyl)piperazine |
CAS: |
27561-62-2 |
Synonyms: |
cyclohexyl(piperazin-1-yl)methanone |
IUPAC Name: | cyclohexyl(piperazin-1-yl)methanone |
Description: | 1-(Cyclohexylcarbonyl)piperazine (CAS# 27561-62-2) is a useful research chemical. |
Molecular Weight: | 196.29 |
Molecular Formula: | C11H20N2O |
Canonical SMILES: | C1CCC(CC1)C(=O)N2CCNCC2 |
InChI: | InChI=1S/C11H20N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h10,12H,1-9H2 |
InChI Key: | ZSZROXCAFYZNHE-UHFFFAOYSA-N |
Boiling Point: | 350.5 °C at 760 mmHg |
Purity: | ≥ 97 % |
Density: | 1.047 g/cm3 |
Appearance: | White to brown solid |
MDL: | MFCD06798113 |
LogP: | 1.26520 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-102293986-B1 | Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient | 20191030 |
KR-20210052330-A | Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient | 20191030 |
WO-2021086077-A1 | Isoquinolinone derivative, preparation method therefor, and pharmaceutical composition, comprising same as active ingredient, for prevention or treatment of poly(adp-ribose)polymerase-1 (parp-1)-associated disease | 20191030 |
CN-107286166-A | Replace 1,3,4,5- tetrahydrochysene -6H- pyrrolo-es [4,3,2-EF] [2] benzo-aza -6- ketone derivatives | 20160411 |
CN-107286174-A | Substitution 2,4- (1H, 3H) hybar Xs are used as PARP inhibitor and its application | 20160411 |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.157563266 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.157563266 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Related Functional Groups
Piperazines
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