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2-methyl-2-(4-piperidyl)propanoic acid;hydrochloride - 97%, high purity , CAS No.763110-36-7
Basic Description
Synonyms
PS-20797 | 2-methyl-2-(piperidin-4-yl)propanoic acid hydrochloride | 2-methyl-2-piperidin-4-ylpropanoic acid;hydrochloride | 2-Methyl-2-(4-piperidyl)propanoic Acid Hydrochloride | EN300-233324 | SCHEMBL6824935 | AT35122 | Z1269170818 | MFCD18837726 | 2-me
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
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Delta amino acids and derivatives
Alternative Parents
Piperidines Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Delta amino acid or derivatives - Piperidine - Amino acid - Carboxylic acid - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
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
2-methyl-2-piperidin-4-ylpropanoic acid;hydrochloride
INCHI
InChI=1S/C9H17NO2.ClH/c1-9(2,8(11)12)7-3-5-10-6-4-7;/h7,10H,3-6H2,1-2H3,(H,11,12);1H
InChIKey
XFIMQCXXLAAEPX-UHFFFAOYSA-N
Smiles
CC(C)(C1CCNCC1)C(=O)O.Cl
Isomeric SMILES
CC(C)(C1CCNCC1)C(=O)O.Cl
Alternate CAS
763110-36-7
PubChem CID
69908252
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
207.700 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
207.103 Da
Monoisotopic Mass
207.103 Da
Topological Polar Surface Area
49.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
171.000
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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