(R)-(-)-2-Amino-1-butanol - ≥98% , CAS No.5856-63-3

CAS: 5856-63-3 Cat. No.: A107265 Molecular Weight: 89.14 Beilstein Registry Number: 1718929 EC Number: 227-476-4

GRADE & PURITY ≥98%

Synonyms

A0972 | (R)-2-Amino-1-butanol | (2R)-2-amino-1-butanol | NCGC00248648-01 | (2R)-2-aminobutan-1-ol | (R)-(-)-2-Amino-1-butanol, 98% | UNII-4F725V55LN | (R)-(-)-2-Amino-1-butanol | (R)-(-)-2amino-1-butanol | (R)-(-)2-amino-1-butanol | [R]-(-)-2-amino-1-buta

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A0972 | (R)-2-Amino-1-butanol | (2R)-2-amino-1-butanol | NCGC00248648-01 | (2R)-2-aminobutan-1-ol | (R)-(-)-2-Amino-1-butanol, 98% | UNII-4F725V55LN | (R)-(-)-2-Amino-1-butanol | (R)-(-)-2amino-1-butanol | (R)-(-)2-amino-1-butanol | [R]-(-)-2-amino-1-buta

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192206
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192206
• Canonical Smiles: CCC(CO)N
• IUPAC Name: (2R)-2-aminobutan-1-ol
• InChIKey: JCBPETKZIGVZRE-SCSAIBSYSA-N
• INCHI: 1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1
• Isomeric SMILES: CC[C@H](CO)N
• WGK Germany: 3
• UN Number: 2735
• Molecular Weight: 89.14
• Beilstein: 1718929
• Reaxy-Rn: 1098274
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098274&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: Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 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 1,2-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: Miscible with water, soluble in alcohol and ether.
• Sensitivity: Air and moisture sensitive
• Refractive Index: 1.452
• Specific Rotation[α]: -9.5 ° (neat)
• Flash Point(°F): 95 °C
• Flash Point(°C): 95°C
• Boil Point(°C): 172-174°C
• Melt Point(°C): -2°C
• Molecular Weight: 89.140 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 89.0841 Da
• Monoisotopic Mass: 89.0841 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 30.700
• 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. Datong Wu, Ying Zhou, Pengfei Cai, Shanshan Shen, Yuanjiang Pan.  (2015)  Specific cooperative effect for the enantiomeric separation of amino acids using aqueous two-phase systems with task-specific ionic liquids.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:25888099] [10.1016/j.chroma.2015.03.047]