(S)-2-Azido-propionic acid cyclohexylammonium salt - ≥97% , CAS No.1217462-58-2

CAS: 1217462-58-2 Cat. No.: I166546 Molecular Weight: 214.26 EC Number: 693-729-4 PubChem CID: 66519952

GRADE & PURITY ≥97%

Synonyms

1217462-58-2|(S)-2-Azido-propionic acid cyclohexylammonium salt|(2S)-2-azidopropanoic acid;cyclohexanamine|(2S)-2-Azidopropanoic acid--cyclohexanamine (1/1)|SCHEMBL17801910|DTXSID50735012|AKOS015940931|AS-80249|(2S)-2-azidopropanoic acid; cyclohexanamine|

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1217462-58-2 | (S)-2-Azido-propionic acid cyclohexylammonium salt | (2S)-2-azidopropanoic acid;cyclohexanamine | (2S)-2-Azidopropanoic acid--cyclohexanamine (1/1) | SCHEMBL17801910 | DTXSID50735012 | AKOS015940931 | AS-80249 | (2S)-2-azidopropanoic acid; cyclohexanamine |

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504771823
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771823
• Canonical Smiles: CC(C(=O)O)N=[N+]=[N-].C1CCC(CC1)N
• IUPAC Name: (2S)-2-azidopropanoic acid;cyclohexanamine
• InChIKey: CGKQKHCXMKZFEF-WNQIDUERSA-N
• INCHI: 1S/C6H13N.C3H5N3O2/c7-6-4-2-1-3-5-6;1-2(3(7)8)5-6-4/h6H,1-5,7H2;2H,1H3,(H,7,8)/t;2-/m.0/s1
• Isomeric SMILES: C[C@@H](C(=O)O)N=[N+]=[N-].C1CCC(CC1)N
• PubChem CID: 66519952
• Molecular Weight: 214.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alanine and derivatives

• 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: Alanine and derivatives
• Alternative Parents: Cyclohexylamines Azo imides Azo compounds Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Not available
• Substituents: Alanine or derivatives - Cyclohexylamine - Azo compound - Azo imide - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic salt - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic cation - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive;light sensitive
• Molecular Weight: 214.270 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 214.143 Da
• Monoisotopic Mass: 214.143 Da
• Topological Polar Surface Area: 77.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 184.000
• 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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