L-Valinol - Moligand™, ≥96% , CAS No.2026-48-4

CAS: 2026-48-4 Cat. No.: V752668 Molecular Weight: 103.16 Beilstein Registry Number: 1719137 EC Number: 217-975-5

GRADE & PURITY Moligand™, ≥96%

Synonyms

H-Val-ol | (S)-(+)-2-Amino-3-methyl-1-butanol

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

H-Val-ol | (S)-(+)-2-Amino-3-methyl-1-butanol

Specifications & Purity

Moligand™, ≥96%

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.

Grade

Moligand™

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 528765213
• Canonical Smiles: CC(C)C(CO)N
• IUPAC Name: (2S)-2-amino-3-methylbutan-1-ol
• InChIKey: NWYYWIJOWOLJNR-RXMQYKEDSA-N
• INCHI: 1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
• Isomeric SMILES: CC(C)[C@@H](CO)N
• WGK Germany: 3
• Alternate CAS: 2026-48-4
• Molecular Weight: 103.16
• Beilstein: 1719137
• Reaxy-Rn: 1719137

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: Soluble in water
• Sensitivity: air sensitive
• Refractive Index: 1.4538-1.4558
• Specific Rotation[α]: 17 ° (C=10, EtOH)
• Flash Point(°F): 172.4 °F
• Flash Point(°C): 78℃
• Boil Point(°C): 81°C
• Melt Point(°C): 30-32°C
• Molecular Weight: 103.160 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 103.1 Da
• Monoisotopic Mass: 103.1 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 45.300
• 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. Xiaofei Ma, Yingxiang Du, Xiaodong Sun, Jie Liu, Zhifeng Huang.  (2019)  Synthesis and application of amino alcohol-derived chiral ionic liquids, as additives for enantioseparation in capillary electrophoresis.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:31060783] [10.1016/j.chroma.2019.04.040]

2. Lilan Tan, Wenrong Cai, Fangqin Wang, Junyao Li, Datong Wu, Yong Kong.  (2024)  Postsynthetic Modification Strategy for Constructing Electrochemiluminescence-Active Chiral Covalent Organic Frameworks Performing Efficient Enantioselective Sensing.  ANALYTICAL CHEMISTRY,      [PMID:38394220] [10.1021/acs.analchem.3c05887]

3. Peipei Ji, Xiuwu Wang, Lianpei Zhou, Guiyang Zhou, Tao Chen.  (2025)  Compartmentalization of Brönsted Acid/Pybox-Ru(II) by Polymeric Micelles for One-Pot Tandem Catalysis.  ChemistrySelect,  10  (15): (e202501120).  [PMID:] [10.1002/slct.202501120]