BENZALDEHYDE (TERT-BUTOXYCARBONYL)HYDRAZONE , CAS No.24469-50-9

CAS: 24469-50-9 Cat. No.: B168971 Peso molecular: 220.274 Número EC: 662-118-4

Synonyms

N-Boc-N'-Benzylidene-hydrazine|24469-50-9|tert-butyl N-[(Z)-benzylideneamino]carbamate|497164-25-7|Hydrazinecarboxylic acid, (phenylmethylene)-, 1,1-dimethylethyl ester, (2E)-|tert-Butyl (E)-2-benzylidenehydrazine-1-carboxylate|N'-Benzylidene-hydrazinecar

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-Boc-N'-Benzylidene-hydrazine | 24469-50-9 | tert-butyl N-[(Z)-benzylideneamino]carbamate | 497164-25-7 | Hydrazinecarboxylic acid, (phenylmethylene)-, 1, 1-dimethylethyl ester, (2E)- | tert-Butyl (E)-2-benzylidenehydrazine-1-carboxylate | N'-Benzylidene-hydrazinecar

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NN=CC1=CC=CC=C1
• IUPAC Name: tert-butyl N-[(Z)-benzylideneamino]carbamate
• InChIKey: LKKATZANDADGPR-LCYFTJDESA-N
• INCHI: 1S/C12H16N2O2/c1-12(2,3)16-11(15)14-13-9-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15)/b13-9-
• Isómeros SMILES: CC(C)(C)OC(=O)N/N=C\C1=CC=CC=C1
• Peso molecular: 220.274
• Reaxy-Rn: 1958342
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1958342&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: 220.270 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 220.121 Da
• Monoisotopic Mass: 220.121 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 250.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1