methyl 3-[(tert-butoxycarbonylamino)methyl]cyclohexanecarboxylate - ≥97% , CAS No.347185-09-5

CAS: 347185-09-5 Cat. No.: M633663 Molecular Weight: 271.35 PubChem CID: 22714155

GRADE & PURITY ≥97%

Synonyms

SCHEMBL5507221 | F85974 | METHYL 3-[(TERT-BUTOXYCARBONYLAMINO)METHYL]CYCLOHEXANECARBOXYLATE | 347185-09-5

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL5507221 | F85974 | METHYL 3-[(TERT-BUTOXYCARBONYLAMINO)METHYL]CYCLOHEXANECARBOXYLATE | 347185-09-5

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)NCC1CCCC(C1)C(=O)OC
• IUPAC Name: methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
• InChIKey: YLSRTAQOYCSREH-UHFFFAOYSA-N
• INCHI: 1S/C14H25NO4/c1-14(2,3)19-13(17)15-9-10-6-5-7-11(8-10)12(16)18-4/h10-11H,5-9H2,1-4H3,(H,15,17)
• Isomeric SMILES: CC(C)(C)OC(=O)NCC1CCCC(C1)C(=O)OC
• PubChem CID: 22714155
• Molecular Weight: 271.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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
• 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