Boc-DL-Leucinol - ≥97% , CAS No.142121-48-0

CAS: 142121-48-0 Cat. No.: B470307 Formule: C₁₁H₂₃NO₃ Poids moléculaire: 217.31 Numéro CE: 850-758-9

QUALITÉ & PURETÉ ≥97%

Synonyms

BB 0263072 | EX-A055 | 2-fluoro-N-((3R,4R)-3-methylpiperidin-4-yl)-N-propylbenzamide | Boc-DL-Leucinol | MFCD01883028 | SCHEMBL1059380 | FT-0686545 | Carbamic acid,N-[1-(hydroxymethyl)-3-methylbutyl]-,1,1-dimethylethyl ester | SY042575 | A807854 | N-Boc-D

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Spécifications

Synonymes

BB 0263072 | EX-A055 | 2-fluoro-N-((3R,4R)-3-methylpiperidin-4-yl)-N-propylbenzamide | Boc-DL-Leucinol | MFCD01883028 | SCHEMBL1059380 | FT-0686545 | Carbamic acid,N-[1-(hydroxymethyl)-3-methylbutyl]-,1,1-dimethylethyl ester | SY042575 | A807854 | N-Boc-D

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

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

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CC(C)CC(CO)NC(=O)OC(C)(C)C

IUPAC Name

tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate

InChIKey

LQTMEOSBXTVYRM-UHFFFAOYSA-N

INCHI

1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)

Isomères SMILES

CC(C)CC(CO)NC(=O)OC(C)(C)C

WGK Allemagne

3

Poids moléculaire

217.31

Reaxy-Rn

4666171

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4666171&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Organic carbonic acids and derivatives Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
• 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

• Point d'éclair (°F): 230 °F
• Point d'éclair (°C): 110 °C
• Poids moléculaire: 217.310 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 217.168 Da
• Monoisotopic Mass: 217.168 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 196.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 142121-48-0, the molecular formula is C11H23NO3, and the molecular weight is 217.31 g/mol. InChIKey LQTMEOSBXTVYRM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.