Methyl 4-oxo-3-piperidinecarboxylate hydrochloride - CAS 71486-53-8
Catalog: |
BB034393 |
Product Name: |
Methyl 4-oxo-3-piperidinecarboxylate hydrochloride |
CAS: |
71486-53-8 |
Synonyms: |
3-Piperidinecarboxylic acid, 4-oxo-, methyl ester, hydrochloride (1:1); 3-Piperidinecarboxylic acid, 4-oxo-, methyl ester, monohydrochloride; 3-(Methoxycarbonyl)-4-piperidone hydrochloride; 3-Methoxycarbonyl-4-oxopiperidinium chloride; Methyl 4-oxo-3-piperidinecarboxylate monohydrochloride |
Related CAS: | 101493-71-4 (Deleted CAS) 108554-34-3 (free base)
|
IUPAC Name: | methyl 4-oxopiperidine-3-carboxylate;hydrochloride |
Molecular Weight: | 193.63 |
Molecular Formula: | C7H11NO3.HCl |
Canonical SMILES: | COC(=O)C1CNCCC1=O.Cl |
InChI: | InChI=1S/C7H11NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5,8H,2-4H2,1H3;1H |
InChI Key: | NMAACQILAGCQPR-UHFFFAOYSA-N |
Melting Point: | 175°C |
Purity: | 95% |
Appearance: | White or cream-colored powder |
MDL: | MFCD00012769 |
LogP: | 0.46880 |
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 |
CN-110291090-A | Bentyl as novel jak kinase inhibitor | 20170120 |
EP-3571198-A1 | Bicyclic amines as novel jak kinase inhibitors | 20170120 |
US-2019382418-A1 | Bicyclic amines as novel jak kinase inhibitors | 20170120 |
WO-2018134352-A1 | Bicyclic amines as novel jak kinase inhibitors | 20170120 |
US-10851116-B2 | Bicyclic amines as novel JAK kinase inhibitors | 20170120 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0505709 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0505709 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Piperidines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS