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(S)-3-Amino-5-hexynoic acid hydrochloride - 94%, high purity , CAS No.332064-85-4
Basic Description
Synonyms
(S)-3-Amino-5-hexynoic acid-HCl | H-(Propargyl)Gly-(C#CH2)OH.HCl | (S)-3-Amino-5-hexynoic acid hydrochloride, 94% | SCHEMBL19386105 | AKOS015948814 | (3S)-3-aminohex-5-ynoic acid;hydrochloride | A875373 | (S)-3-Aminohex-5-ynoic acid hydrochloride | J-0166
Specifications & Purity
≥94%
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
Beta amino acids and derivatives
Alternative Parents
Medium-chain fatty acids Amino fatty acids Unsaturated fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Acetylides Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Beta amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Unsaturated fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Acetylide - Organic nitrogen compound - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta 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
Pubchem Sid
504761638
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504761638
IUPAC Name
(3S)-3-aminohex-5-ynoic acid;hydrochloride
INCHI
InChI=1S/C6H9NO2.ClH/c1-2-3-5(7)4-6(8)9;/h1,5H,3-4,7H2,(H,8,9);1H/t5-;/m0./s1
InChIKey
FVKOZZHCHSRKJA-JEDNCBNOSA-N
Smiles
C#CCC(CC(=O)O)N.Cl
Isomeric SMILES
C#CC[C@@H](CC(=O)O)N.Cl
WGK Germany
3
Alternate CAS
270596-46-8
PubChem CID
2761700
Molecular Weight
163.6
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light and moisture sensitive
Specific Rotation[α]
[α]/D +13±1.5°, c = 1 in H2O
Molecular Weight
163.600 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
163.04 Da
Monoisotopic Mass
163.04 Da
Topological Polar Surface Area
63.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
144.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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B2304246