(S)-(+)-1-Amino-2-propanol - ≥97%(GC) , CAS No.2799-17-9

CAS: 2799-17-9 Cat. No.: S161024 Molecular Weight: 75.11 EC Number: 220-533-4

GRADE & PURITY ≥97%(GC)

Synonyms

(S)-1-(aminomethyl)ethan-1-ol | A0975 | CL0074 | (S)-(+)-1-Aminopropan-2-ol | STR07322 | (S)-1-amino 2-propanol | 3,5-Dichloro-4(1H)-pyridinone # | (S)-(+)-Isopropanolamine | (S)-2-hyroxypropylamine | 1-Amino-2-propanol # | EINECS 220-533-4 | F-LOOP OF VI

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

(S)-(+)-1-Amino-2-propanol is a chiral amino alcohol.

Specifications

Synonyms

(S)-1-(aminomethyl)ethan-1-ol | A0975 | CL0074 | (S)-(+)-1-Aminopropan-2-ol | STR07322 | (S)-1-amino 2-propanol | 3, 5-Dichloro-4(1H)-pyridinone # | (S)-(+)-Isopropanolamine | (S)-2-hyroxypropylamine | 1-Amino-2-propanol # | EINECS 220-533-4 | F-LOOP OF VI

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%(GC)

Names and Identifiers

• Canonical Smiles: CC(CN)O
• IUPAC Name: (2S)-1-aminopropan-2-ol
• InChIKey: HXKKHQJGJAFBHI-VKHMYHEASA-N
• INCHI: 1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m0/s1
• Isomeric SMILES: C[C@@H](CN)O
• WGK Germany: 1
• Molecular Weight: 75.11
• Reaxy-Rn: 605275
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605275&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Secondary alcohols Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2-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 C2 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water; Soluble in Ether,Alcohol,Acetone
• Sensitivity: Air & Moisture Sensitive
• Refractive Index: n20/D 1.4437
• Specific Rotation[α]: [α]20/D +18°, c = 1.8 in H2O
• Flash Point(°F): 159.8 °F
• Flash Point(°C): 71 °C
• Boil Point(°C): 160 °C
• Melt Point(°C): 24-26°C
• Molecular Weight: 75.110 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 75.0684 Da
• Monoisotopic Mass: 75.0684 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 22.900
• 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

References

1. Hai-Min Shen, Hong-Bing Ji.  (2013)  Cyclodextrin–[RuCl2(Arene)]2 conjugates: another way to enhance the enantioselectivity of aromatic ketones reduction by aromatic ligands' volume.  TETRAHEDRON,      [PMID:] [10.1016/j.tet.2013.07.077]

2. Hai-Min Shen, Hong-Bing Ji.  (2012)  Amino alcohol-modified β-cyclodextrin inducing biomimetic asymmetric oxidation of thioanisole in water.  CARBOHYDRATE RESEARCH,      [PMID:22541298] [10.1016/j.carres.2012.03.034]