Boc-12-Ado-OH - ≥98% , CAS No.18934-81-1

CAS: 18934-81-1 Cat. No.: B357004 Formule: C₁₇H₃₃NO₄ Poids moléculaire: 315.45 Numéro CE: 869-803-9

GRADE & PURITY ≥98%

Synonyms

12-(tert-Butoxycarbonylamino)dodecanoic acid | Dodecanoic acid,12-[[(1,1-dimethylethoxy)carbonyl]amino]- | N-T-BUTYLOXYCARBONYL-12-AMINO-DODECANOIC ACID | 12-{[(tert-butoxy)carbonyl]amino}dodecanoic acid | EN300-1589324 | 12-[(2-methylpropan-2-yl)oxycarbo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

12-(tert-Butoxycarbonylamino)dodecanoic acid | Dodecanoic acid,12-[[(1,1-dimethylethoxy)carbonyl]amino]- | N-T-BUTYLOXYCARBONYL-12-AMINO-DODECANOIC ACID | 12-{[(tert-butoxy)carbonyl]amino}dodecanoic acid | EN300-1589324 | 12-[(2-methylpropan-2-yl)oxycarbo

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

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

488194868

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194868

Sourires canoniques

CC(C)(C)OC(=O)NCCCCCCCCCCCC(=O)O

IUPAC Name

12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoic acid

InChIKey

NNPOZNVKUHYVEJ-UHFFFAOYSA-N

INCHI

1S/C17H33NO4/c1-17(2,3)22-16(21)18-14-12-10-8-6-4-5-7-9-11-13-15(19)20/h4-14H2,1-3H3,(H,18,21)(H,19,20)

Isomères SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCCC(=O)O

WGK Allemagne

3

Poids moléculaire

315.45

Reaxy-Rn

1980302

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1980302&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Amino fatty acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Branched fatty acid - Amino fatty acid - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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 de fusion (°C): 80-90° C
• Poids moléculaire: 315.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 315.241 Da
• Monoisotopic Mass: 315.241 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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