Boc-L-leucine chloromethylketone - ≥97% , CAS No.102123-85-3

CAS: 102123-85-3 Cat. No.: B356619 Peso molecular: 263.76

GRADE & PURITY ≥97%

Synonyms

MFCD00672492 | (S)-tert-butyl 1-chloro-5-methyl-2-oxohexan-3-ylcarbamate | Boc-L-Leu-chloromethylketone | AS-49253 | Boc-LeuCH2Cl | Carbamic acid,[(1S)-1-(chloroacetyl)-3-methylbutyl]-,1,1-dimethylethyl ester(9ci) | DTXSID80427296 | (3S)-3-tert-Butoxycarb

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00672492 | (S)-tert-butyl 1-chloro-5-methyl-2-oxohexan-3-ylcarbamate | Boc-L-Leu-chloromethylketone | AS-49253 | Boc-LeuCH2Cl | Carbamic acid, [(1S)-1-(chloroacetyl)-3-methylbutyl]-, 1, 1-dimethylethyl ester(9ci) | DTXSID80427296 | (3S)-3-tert-Butoxycarb

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488196136
• Sonrisas canónicas: CC(C)CC(C(=O)CCl)NC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl N-[(3S)-1-chloro-5-methyl-2-oxohexan-3-yl]carbamate
• InChIKey: ZNJWTNDBZSOFFP-VIFPVBQESA-N
• INCHI: 1S/C12H22ClNO3/c1-8(2)6-9(10(15)7-13)14-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,16)/t9-/m0/s1
• Isómeros SMILES: CC(C)C[C@@H](C(=O)CCl)NC(=O)OC(C)(C)C
• Peso molecular: 263.76
• Reaxy-Rn: 13413850
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13413850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: Alpha-chloroketones Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-haloketone - Alpha-chloroketone - Carbamic acid ester - Ketone - Alkyl chloride - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 263.760 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 263.129 Da
• Monoisotopic Mass: 263.129 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 271.000
• 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