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methyl 4-cyanopiperidine-4-carboxylate hydrochloride - 97%, high purity , CAS No.1205749-65-0
Basic Description
Synonyms
EN300-125959 | methyl4-cyanopiperidine-4-carboxylatehydrochloride | MFCD12408598 | methyl 4-cyanopiperidine-4-carboxylate hydrochloride | P17750 | methyl 4-cyanopiperidine-4-carboxylate hcl | CS-0049035 | 1205749-65-0 | AS-54319 | SY149840 | AKOS026744319
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
Methyl esters Amino acids and derivatives Nitriles Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Secondary amine - Azacycle - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Cyanide - Organic oxygen compound - Organic oxide - Hydrochloride - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
methyl 4-cyanopiperidine-4-carboxylate;hydrochloride
INCHI
InChI=1S/C8H12N2O2.ClH/c1-12-7(11)8(6-9)2-4-10-5-3-8;/h10H,2-5H2,1H3;1H
InChIKey
AANCMLHBNLKLJC-UHFFFAOYSA-N
Smiles
COC(=O)C1(CCNCC1)C#N.Cl
Isomeric SMILES
COC(=O)C1(CCNCC1)C#N.Cl
Alternate CAS
1205749-65-0
PubChem CID
71758114
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
204.650 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
204.067 Da
Monoisotopic Mass
204.067 Da
Topological Polar Surface Area
62.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
222.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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