tert-Butyl (3-methylpiperidin-3-yl)carbamate - ≥97% , CAS No.169750-96-3

CAS: 169750-96-3 Cat. No.: T174919 Peso molecular: 214.3046 PubChem CID: 19691473

GRADE & PURITY ≥97%

Synonyms

SY099893 | Carbamic acid, (3-methyl-3-piperidinyl)-, 1,1-dimethylethyl ester | tert-butyl(3-methylpiperidin-3-yl)carbamate | rac-tert-butyl (3-methylpiperidin-3-yl)carbamate | AMY23863 | tert-butyl (3-methylpiperidin-3-yl)carbamate | MFCD16996029 | (S)-N-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

SY099893 | Carbamic acid, (3-methyl-3-piperidinyl)-, 1, 1-dimethylethyl ester | tert-butyl(3-methylpiperidin-3-yl)carbamate | rac-tert-butyl (3-methylpiperidin-3-yl)carbamate | AMY23863 | tert-butyl (3-methylpiperidin-3-yl)carbamate | MFCD16996029 | (S)-N-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

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

• Pubchem Sid: 504768846
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768846
• Sonrisas canónicas: CC1(CCCNC1)NC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl N-(3-methylpiperidin-3-yl)carbamate
• InChIKey: IKLFTJQKKCELGD-UHFFFAOYSA-N
• INCHI: 1S/C11H22N2O2/c1-10(2,3)15-9(14)13-11(4)6-5-7-12-8-11/h12H,5-8H2,1-4H3,(H,13,14)
• Isómeros SMILES: CC1(CCCNC1)NC(=O)OC(C)(C)C
• PubChem CID: 19691473
• Peso molecular: 214.3046

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Carbamic acid ester - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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

• Sensibilidad: Light sensitive
• Peso molecular: 214.300 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.168 Da
• Monoisotopic Mass: 214.168 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1