(S)-3-Amino-1,2-propanediol - ≥98% , CAS No.61278-21-5

CAS: 61278-21-5 Cat. No.: A103187 Molecular Weight: 91.11 Beilstein Registry Number: 1719122 EC Number: 629-165-2

GRADE & PURITY ≥98%

Synonyms

AC-13922 | AMY18546 | (S)-3-amino-propane-1,2-diol | (S)-3-Aminopropane-1,2-diol | KQIGMPWTAHJUMN-VKHMYHEASA-N | (2S)-3-amino-1,2-propanediol | (S)-(-)-3-Amino-1,2-propanediol | (S)-2,3-dihydroxypropylamine | CHEBI:1456 | AKOS005138002 | Q27105461 | 61278

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

application：

(S)-3-Amino-1,2-propanediol-borate system can be used for the enantioseparation of monosaccharides, derivatized with either 1-phenyl-3-methyl-5-pyrazolone (PMP) or 8-aminonaphthalene-1,3,6-trisulfonate (ANT) by chiral ligand-exchange capillary electrophoresis (CE).

Specifications

Synonyms

AC-13922 | AMY18546 | (S)-3-amino-propane-1, 2-diol | (S)-3-Aminopropane-1, 2-diol | KQIGMPWTAHJUMN-VKHMYHEASA-N | (2S)-3-amino-1, 2-propanediol | (S)-(-)-3-Amino-1, 2-propanediol | (S)-2, 3-dihydroxypropylamine | CHEBI:1456 | AKOS005138002 | Q27105461 | 61278

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488189767
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189767
• Canonical Smiles: C(C(CO)O)N
• IUPAC Name: (2S)-3-aminopropane-1,2-diol
• InChIKey: KQIGMPWTAHJUMN-VKHMYHEASA-N
• INCHI: 1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m0/s1
• Isomeric SMILES: C([C@@H](CO)O)N
• WGK Germany: 3
• UN Number: 3259
• Molecular Weight: 91.11
• Beilstein: 1719122
• Reaxy-Rn: 1719121
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719121&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,3-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,3-aminoalcohols
• Alternative Parents: Secondary alcohols 1,2-diols 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-aminoalcohol - Secondary alcohol - 1,2-diol - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom.
• External Descriptors: amino alcohol

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

• Solubility: Soluble in water. Soluble in methanol
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.483
• Specific Rotation[α]: -3 ° (C=5, H2O)
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 117-119°C
• Melt Point(°C): 55°C
• Molecular Weight: 91.110 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 91.0633 Da
• Monoisotopic Mass: 91.0633 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 32.000
• 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: 1