(R)-tert-Butyl azepan-3-ylcarbamate - ≥98% , CAS No.1354351-56-6

CAS: 1354351-56-6 Cat. No.: R587059 Peso molecular: 214.3 PubChem CID: 54775497

GRADE & PURITY ≥98%

Synonyms

CarbaMic acid, N-[(3R)-hexahydro-1H-azepin-3-yl]-, 1,1-diMethylethyl ester | MFCD19686115 | DTXSID30716763 | (R)-tert-Butyl-azepan-3-ylcarbamate | 1354351-56-6 | TERT-BUTYL N-[(3R)-AZEPAN-3-YL]CARBAMATE | (R)-tert-Butyl azepan-3-ylcarbamate | NZEPWAXJSWYE

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

CarbaMic acid, N-[(3R)-hexahydro-1H-azepin-3-yl]-, 1, 1-diMethylethyl ester | MFCD19686115 | DTXSID30716763 | (R)-tert-Butyl-azepan-3-ylcarbamate | 1354351-56-6 | TERT-BUTYL N-[(3R)-AZEPAN-3-YL]CARBAMATE | (R)-tert-Butyl azepan-3-ylcarbamate | NZEPWAXJSWYE

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC1CCCCNC1
• IUPAC Name: tert-butyl N-[(3R)-azepan-3-yl]carbamate
• InChIKey: NZEPWAXJSWYEDV-SECBINFHSA-N
• INCHI: 1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H]1CCCCNC1
• PubChem CID: 54775497
• Peso molecular: 214.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azepanes
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azepane - Carbamic acid ester - Carbonic acid derivative - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen 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

• Sensibilidad: light sensitive
• Peso molecular: 214.300 g/mol
• XLogP3: 1.400
• 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: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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