(3R,4S)-4-amino-3-methyl-piperidine-1-carboxylic acid tert-butyl ester - ≥97% , CAS No.1820569-34-3

CAS: 1820569-34-3 Cat. No.: A630673 Peso molecular: 214.31 PubChem CID: 70887528

GRADE & PURITY ≥97%

Synonyms

1820569-34-3 | tert-butyl (3R,4S)-4-amino-3-methylpiperidine-1-carboxylate | (3R,4S)-4-Amino-3-methyl-piperidine-1-carboxylic acid tert-butyl ester | cis-1-Boc-3-methylpiperidin-4-amine | SCHEMBL13356476 | MFCD22396716 | AT17192 | tert-butyl cis-4-amino-3

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1820569-34-3 | tert-butyl (3R, 4S)-4-amino-3-methylpiperidine-1-carboxylate | (3R, 4S)-4-Amino-3-methyl-piperidine-1-carboxylic acid tert-butyl ester | cis-1-Boc-3-methylpiperidin-4-amine | SCHEMBL13356476 | MFCD22396716 | AT17192 | tert-butyl cis-4-amino-3

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1CN(CCC1N)C(=O)OC(C)(C)C
• IUPAC Name: tert-butyl (3R,4S)-4-amino-3-methylpiperidine-1-carboxylate
• InChIKey: UMBWKSXEVUZEMI-BDAKNGLRSA-N
• INCHI: 1S/C11H22N2O2/c1-8-7-13(6-5-9(8)12)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1
• Isómeros SMILES: C[C@@H]1CN(CC[C@@H]1N)C(=O)OC(C)(C)C
• PubChem CID: 70887528
• Peso molecular: 214.31

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: Aminopiperidines Carbamate esters Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - 4-aminopiperidine - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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: 214.300 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.168 Da
• Monoisotopic Mass: 214.168 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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