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DL-Pipecolic Acid-d9 - 95%;98% atom, high purity , CAS No.790612-94-1
Basic Description
Synonyms
Pipecolic Acid-d9 | DL-Pipecolic Acid-d9 | 2,3,3,4,4,5,5,6,6-nonadeuteriopiperidine-2-carboxylic acid | HY-Y0669S | DL-2-PIPERIDINE-D9-CARBOXYLIC ACID | (2,3,3,4,4,5,5,6,6-?H?)piperidine-2-carboxylic acid | (2,3,3,4,4,5,5,6,6-~2~H_9_)Piperidine-2-carboxyl
Specifications & Purity
≥98 atom% D9,≥95%
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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acids
Alternative Parents
Piperidinecarboxylic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Alpha-amino acid - Piperidinecarboxylic acid - Piperidine - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
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
2,3,3,4,4,5,5,6,6-nonadeuteriopiperidine-2-carboxylic acid
INCHI
InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/i1D2,2D2,3D2,4D2,5D
InChIKey
HXEACLLIILLPRG-UHUJFCCWSA-N
Smiles
C1CCNC(C1)C(=O)O
Isomeric SMILES
[2H]C1(C(C(NC(C1([2H])[2H])([2H])C(=O)O)([2H])[2H])([2H])[2H])[2H]
Alternate CAS
535-75-1（unlabelled）
Molecular Weight
138.21
Reaxy-Rn
81095
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81095&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
270-275° C (dec.)
Molecular Weight
138.210 g/mol
XLogP3
-2.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
138.135 Da
Monoisotopic Mass
138.135 Da
Topological Polar Surface Area
49.300 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
114.000
Isotope Atom Count
9
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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A2404312