D-Valinol - ≥98% , CAS No.4276-09-9

CAS: 4276-09-9 Cat. No.: V118431 Formule: C₅H₁₃NO Poids moléculaire: 103.16 Beilstein Registry Number: 1719138 Numéro CE: 922-908-4 PubChem CID: 6950587

GRADE & PURITY ≥98%

Synonyms

(2R)-2-amino-3-methyl-1-butanol | EN300-98065 | (-)-2-amino-3-methyl-1-butanol | AS-12364 | Q-200023 | (2R)-2-amino-3-methylbutan-1-ol | HY-30167 | (R)-valinol | 1-Butanol, 2-amino-3-methyl-, (2R)- | Valinol, D- | (1R)-1-Isopropyl-2-hydroxyethylamine | (R

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

(2R)-2-amino-3-methyl-1-butanol | EN300-98065 | (-)-2-amino-3-methyl-1-butanol | AS-12364 | Q-200023 | (2R)-2-amino-3-methylbutan-1-ol | HY-30167 | (R)-valinol | 1-Butanol, 2-amino-3-methyl-, (2R)- | Valinol, D- | (1R)-1-Isopropyl-2-hydroxyethylamine | (R

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488195904
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195904
• Sourires canoniques: CC(C)C(CO)N
• IUPAC Name: (2R)-2-amino-3-methylbutan-1-ol
• InChIKey: NWYYWIJOWOLJNR-YFKPBYRVSA-N
• INCHI: 1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m0/s1
• Isomères SMILES: CC(C)[C@H](CO)N
• WGK Allemagne: 3
• PubChem CID: 6950587
• Poids moléculaire: 103.16
• Beilstein: 1719138
• Reaxy-Rn: 1719138

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Primary alcohols Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Organic oxygen 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

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Indice de réfraction: 1.455
• Rotation spécifique [α]: -18 ° (C=10, EtOH)
• Point d'éclair (°F): 172.4 °F
• Point d'éclair (°C): 78°C
• Point d'ébullition (°C): 189-190°C
• Point de fusion (°C): 32-36°C
• Poids moléculaire: 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

Références

1. 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]