1-tert-butyl 4-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate - ≥97% , CAS No.362703-35-3

CAS: 362703-35-3 Cat. No.: T176263 Peso molecular: 272.345 Número EC: 675-751-6 PubChem CID: 25418822

GRADE & PURITY ≥97%

Synonyms

FT-0657489 | BBL103495 | 4-Aminomethyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester;METHYL 4-AMINOMETHYL-1-BOC-PIPERIDINE-4-CARBOXYLATE | Methyl 1-Boc-4-(aminomethyl)piperidine-4-carboxylate | STL557305 | Methyl 4-aminomethyl-1-Boc-p

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0657489 | BBL103495 | 4-Aminomethyl-piperidine-1, 4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester;METHYL 4-AMINOMETHYL-1-BOC-PIPERIDINE-4-CARBOXYLATE | Methyl 1-Boc-4-(aminomethyl)piperidine-4-carboxylate | STL557305 | Methyl 4-aminomethyl-1-Boc-p

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)(CN)C(=O)OC
• IUPAC Name: 1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
• InChIKey: HZHZQEZZXBLFHO-UHFFFAOYSA-N
• INCHI: 1S/C13H24N2O4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-9,14H2,1-4H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(CN)C(=O)OC
• PubChem CID: 25418822
• Peso molecular: 272.345

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 Beta 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: Beta amino acids and derivatives
• Alternative Parents: Piperidinecarboxylic acids Methyl esters Carbamate esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Beta amino acid or derivatives - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Primary amine - Amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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: 272.340 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 272.174 Da
• Monoisotopic Mass: 272.174 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 341.000
• 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