ciclohexilcarbamato de 2-nitrobencil - ≥98% , CAS No.119137-03-0

CAS: 119137-03-0 Cat. No.: N159490 Peso molecular: 278.31

GRADE & PURITY ≥98%

Synonyms

T71624 | NJMCHQONLVUNAM-UHFFFAOYSA-N | FT-0743253 | 2-Nitrobenzyl Cyclohexylcarbamate, >/=98% | MFCD22376660 | N1052 | SCHEMBL793387 | ortho-nitrobenzyl cyclohexylcarbamate | (2-NITROPHENYL)METHYL N-CYCLOHEXYLCARBAMATE | Carbamic acid, cyclohexyl-, (2-nit

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

T71624 | NJMCHQONLVUNAM-UHFFFAOYSA-N | FT-0743253 | 2-Nitrobenzyl Cyclohexylcarbamate, >/=98% | MFCD22376660 | N1052 | SCHEMBL793387 | ortho-nitrobenzyl cyclohexylcarbamate | (2-NITROPHENYL)METHYL N-CYCLOHEXYLCARBAMATE | Carbamic acid, cyclohexyl-, (2-nit

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488199967
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199967
• Sonrisas canónicas: C1CCC(CC1)NC(=O)OCC2=CC=CC=C2[N+](=O)[O-]
• IUPAC Name: (2-nitrophenyl)methyl N-cyclohexylcarbamate
• InChIKey: NJMCHQONLVUNAM-UHFFFAOYSA-N
• INCHI: 1S/C14H18N2O4/c17-14(15-12-7-2-1-3-8-12)20-10-11-6-4-5-9-13(11)16(18)19/h4-6,9,12H,1-3,7-8,10H2,(H,15,17)
• Isómeros SMILES: C1CCC(CC1)NC(=O)OCC2=CC=CC=C2[N+](=O)[O-]
• Peso molecular: 278.31
• Reaxy-Rn: 4323784
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4323784&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Carbamate esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Carbamic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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

• Punto de fusión (°C): 104 °C
• Peso molecular: 278.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 278.127 Da
• Monoisotopic Mass: 278.127 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 337.000
• 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