Methyl cis-4-(Boc-amino)cyclohexanecarboxylate - ≥97% , CAS No.364385-64-8

CAS: 364385-64-8 Cat. No.: M176268 Fórmula: C₁₃H₂₃NO₄ Peso molecular: 257.33

GRADE & PURITY ≥97%

Synonyms

METHYL CIS-4-(BOC-AMINO)CYCLOHEXANECARBOXYLATE | METHYL TRANS-4-(TERT-BUTOXYCARBONYLAMINO)CYCLOHEXANECARBOXYLATE | trans-Methyl 4-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate | SY100490 | 146307-51-9 | 364385-64-8 | 503817-57-0

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

METHYL CIS-4-(BOC-AMINO)CYCLOHEXANECARBOXYLATE | METHYL TRANS-4-(TERT-BUTOXYCARBONYLAMINO)CYCLOHEXANECARBOXYLATE | trans-Methyl 4-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate | SY100490 | 146307-51-9 | 364385-64-8 | 503817-57-0

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528776483

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528776483

Sorrisos canónicos

CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)OC

IUPAC Name

methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

InChIKey

RKOQMDUDKCMVFW-UHFFFAOYSA-N

INCHI

1S/C13H23NO4/c1-13(2,3)18-12(16)14-10-7-5-9(6-8-10)11(15)17-4/h9-10H,5-8H2,1-4H3,(H,14,16)

SMILES isoméricas

CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)OC

CAS alternativo

146307-51-9

Peso molecular

257.33

Reaxy-Rn

9330619

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9330619&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: Methyl esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Methyl ester - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: light sensitive
• Peso molecular: 257.329 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 257.163 Da
• Monoisotopic Mass: 257.163 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 301.000
• 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