1-tert-Butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate - ≥97% , CAS No.362703-34-2

CAS: 362703-34-2 Cat. No.: T176262 Peso molecular: 268.3089 PubChem CID: 60082456

GRADE & PURITY ≥97%

Synonyms

EN300-7413414 | METHYL N-BOC-4-CYANOPIPERIDINE-4-CARBOXYLIC ACID | DTXSID20733601 | 1-(tert-butyl) 4-methyl 4-cyanopiperidine-1,4-dicarboxylate | AMY20638 | 1-O-tert-butyl 4-O-methyl 4-cyanopiperidine-1,4-dicarboxylate | MFCD18711601 | AKOS022172934 | DS-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EN300-7413414 | METHYL N-BOC-4-CYANOPIPERIDINE-4-CARBOXYLIC ACID | DTXSID20733601 | 1-(tert-butyl) 4-methyl 4-cyanopiperidine-1, 4-dicarboxylate | AMY20638 | 1-O-tert-butyl 4-O-methyl 4-cyanopiperidine-1, 4-dicarboxylate | MFCD18711601 | AKOS022172934 | DS-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C(=O)OC
• IUPAC Name: 1-O-tert-butyl 4-O-methyl 4-cyanopiperidine-1,4-dicarboxylate
• InChIKey: BNHQNHASKIVGOW-UHFFFAOYSA-N
• INCHI: 1S/C13H20N2O4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-8H2,1-4H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C(=O)OC
• PubChem CID: 60082456
• Peso molecular: 268.3089

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Methyl esters Carbamate esters Organic carbonic acids and derivatives Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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: 268.310 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 268.142 Da
• Monoisotopic Mass: 268.142 Da
• Topological Polar Surface Area: 79.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 408.000
• 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