2,2,6,6-Tetramethyl-4-piperidone hydrochloride - CAS 33973-59-0
Catalog: |
BB021918 |
Product Name: |
2,2,6,6-Tetramethyl-4-piperidone hydrochloride |
CAS: |
33973-59-0 |
Synonyms: |
2,2,6,6-tetramethylpiperidin-4-one;hydrochloride |
Application: |
anti-cancer |
IUPAC Name: | 2,2,6,6-tetramethylpiperidin-4-one;hydrochloride |
Description: | Triacetonamine hydrochloride, also called 2,2,6,6-tetramethyl-4-piperidinone hydrochloride is a natural alkaloid found in herbs of Salsola tetrandra. It is an anticancer chemotherapeutic agent. |
Molecular Weight: | 191.70 |
Molecular Formula: | C9H17NO · HCl |
Canonical SMILES: | CC1(CC(=O)CC(N1)(C)C)C.Cl |
InChI: | InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H |
InChI Key: | ZXNWYMNKYXUZGM-UHFFFAOYSA-N |
Boiling Point: | 205.6 °C at 760 mmHg |
Melting Point: | 198 °C (dec.)(lit.) |
Flash Point: | 73.2°C |
Purity: | > 95 % |
Density: | 0.882 g/cm3 |
Solubility: | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
Appearance: | Powder |
Storage: | Sealed in dry,Room Temperature |
MDL: | MFCD00012768 |
LogP: | 2.62690 |
Quality Standard: | Grams-Kilograms |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018380426-A1 | Processes for making modulators of cystic fibrosis transmembrane conductance regulator | 20171208 |
TW-201930296-A | Method for preparing a modulator of cystic fibrosis transmembrane conductance regulator | 20171208 |
WO-2019113476-A2 | Processes for making modulators of cystic fibrosis transmembrane conductance regulator | 20171208 |
CA-3085006-A1 | Processes for making modulators of cystic fibrosis transmembrane conductance regulator | 20171208 |
CN-111757874-A | Method for producing modulators of cystic fibrosis transmembrane conductance regulator | 20171208 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.1076919 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.1076919 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Piperidones
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