(S)-2-Aminobut-3-en-1-ol hydrochloride - ≥95% , CAS No.219803-57-3

CAS: 219803-57-3 Cat. No.: S192095 Molecular Weight: 123.58 PubChem CID: 16007024

GRADE & PURITY ≥95%

Synonyms

SCHEMBL15561473 | A815797 | DTXSID20581068 | (S)-2-Amino-but-3-en-1-ol, HCl | (2S)-2-Amino-3-buten-1-ol HCL | 3-Buten-1-ol, 2-amino-, hydrochloride, (2S)- | (2S)-2-Aminobut-3-en-1-ol--hydrogen chloride (1/1) | (2S)-2-amino-3-buten-1-ol hydrochloride | DS-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL15561473 | A815797 | DTXSID20581068 | (S)-2-Amino-but-3-en-1-ol, HCl | (2S)-2-Amino-3-buten-1-ol HCL | 3-Buten-1-ol, 2-amino-, hydrochloride, (2S)- | (2S)-2-Aminobut-3-en-1-ol--hydrogen chloride (1/1) | (2S)-2-amino-3-buten-1-ol hydrochloride | DS-

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C=CC(CO)N.Cl
• IUPAC Name: (2S)-2-aminobut-3-en-1-ol;hydrochloride
• InChIKey: DWGZNOXQUQANQJ-WCCKRBBISA-N
• INCHI: 1S/C4H9NO.ClH/c1-2-4(5)3-6;/h2,4,6H,1,3,5H2;1H/t4-;/m0./s1
• Isomeric SMILES: C=C[C@@H](CO)N.Cl
• PubChem CID: 16007024
• Molecular Weight: 123.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Quaternary ammonium salts
• Alternative Parents: Primary alcohols Organic zwitterions Organic chloride salts Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Quaternary ammonium salt - Organic oxygen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as quaternary ammonium salts. These are compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl group.
• 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: Light sensitive
• Molecular Weight: 123.580 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 123.045 Da
• Monoisotopic Mass: 123.045 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 44.800
• 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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