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2-amino-2-(oxan-4-yl)acetic acid - 97%, high purity , CAS No.53284-84-7
Discover 2-amino-2-(oxan-4-yl)acetic acid by Aladdin Scientific in 97% for only $49.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
53284-84-7 | 2-amino-2-(tetrahydro-2h-pyran-4-yl)acetic acid | 4'-Tetrahydropyranylglycine | 2-amino-2-(oxan-4-yl)acetic Acid | 4-TETRAHYDROPYRANYLGLYCINE | 2-(Tetrahydropyran-4-yl)glycine | amino-(tetrahydro-pyran-4-yl)-acetic acid | 2H-Pyran-4-acetic acid,a-aminotetr
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
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
Oxanes Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Alpha-amino acid - Oxane - Amino acid - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - 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-amino-2-(oxan-4-yl)acetic acid
INCHI
InChI=1S/C7H13NO3/c8-6(7(9)10)5-1-3-11-4-2-5/h5-6H,1-4,8H2,(H,9,10)
InChIKey
XLZJPHKIECMDPG-UHFFFAOYSA-N
Smiles
C1COCCC1C(C(=O)O)N
Isomeric SMILES
C1COCCC1C(C(=O)O)N
Molecular Weight
159.185
Reaxy-Rn
125369
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125369&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
159.180 g/mol
XLogP3
-2.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
159.09 Da
Monoisotopic Mass
159.09 Da
Topological Polar Surface Area
72.600 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
143.000
Isotope Atom Count
0
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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