Methyl 4-Amino-1-Boc-piperidine-4-carboxylate - ≥97% , CAS No.321997-89-1

CAS: 321997-89-1 Cat. No.: M169550 Peso molecular: 258.31

GRADE & PURITY ≥97%

Synonyms

METHYL 1-BOC-4-AMINOPIPERIDINE-4-CARBOXYLATE | SCHEMBL1692872 | A875671 | Methyl 4-amino-1-tert-butoxycarbonylpiperidine-4-carboxylate | BBL103547 | 1-tert-Butyl 4-methyl 4-aminopiperidine-1,4-dicarboxylate | DTXSID90610091 | AKOS007930821 | WMA99789 | 1-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

METHYL 1-BOC-4-AMINOPIPERIDINE-4-CARBOXYLATE | SCHEMBL1692872 | A875671 | Methyl 4-amino-1-tert-butoxycarbonylpiperidine-4-carboxylate | BBL103547 | 1-tert-Butyl 4-methyl 4-aminopiperidine-1, 4-dicarboxylate | DTXSID90610091 | AKOS007930821 | WMA99789 | 1-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)OC)N
• IUPAC Name: 1-O-tert-butyl 4-O-methyl 4-aminopiperidine-1,4-dicarboxylate
• InChIKey: MMPCQLBEECGPAP-UHFFFAOYSA-N
• INCHI: 1S/C12H22N2O4/c1-11(2,3)18-10(16)14-7-5-12(13,6-8-14)9(15)17-4/h5-8,13H2,1-4H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)OC)N
• Peso molecular: 258.31
• Reaxy-Rn: 14399274
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14399274&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 Alpha amino acids and derivatives

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Piperidinecarboxylic acids Aminopiperidines Methyl esters Carbamate esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Piperidinecarboxylic acid - 4-aminopiperidine - Piperidine - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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: 258.310 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 258.158 Da
• Monoisotopic Mass: 258.158 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 327.000
• 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