L-Valinol - Moligand™, ≥97% , CAS No.2026-48-4

CAS: 2026-48-4 Cat. No.: V117153 Peso molecular: 103.16 Beilstein Registry Number: 1719137 Número EC: 217-975-5

GRADE & PURITY Moligand™, ≥97%

Synonyms

[(S)-1-(Hydroxymethyl)-2-methylpropyl]amine | SCHEMBL81276 | (S)-(+)-2-Amino-3-methyl-1-butanol | (S)-2-amino-3-methylbutan-1-ol;L-Valinol | L-(+)-Valinol | (S)-(+)-2-Amino-3-methylbutan-1-ol | AS-35006 | A4408 | AC-13725 | R54N4NJ3ZZ | 2-(S)-Amino-3-meth

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

[(S)-1-(Hydroxymethyl)-2-methylpropyl]amine | SCHEMBL81276 | (S)-(+)-2-Amino-3-methyl-1-butanol | (S)-2-amino-3-methylbutan-1-ol;L-Valinol | L-(+)-Valinol | (S)-(+)-2-Amino-3-methylbutan-1-ol | AS-35006 | A4408 | AC-13725 | R54N4NJ3ZZ | 2-(S)-Amino-3-meth

Especificaciones y pureza

Moligand™, ≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759697
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759697
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(C)[C@@H](CO)N
• WGK Alemania: 3
• CAS alternativo: 2026-48-4
• Peso molecular: 103.16
• Beilstein: 1719137
• Reaxy-Rn: 1719137

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: air sensitive
• Índice de refracción: 1.4538-1.4558
• Rotación específica [α]: 17 ° (C=10, EtOH)
• Punto de inflamación (°F): 172.4 °F
• Punto de inflamación (°C): 78℃
• Punto de ebullición (°C): 81°C
• Punto de fusión (°C): 30-32°C
• Peso molecular: 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

Referencias

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]