1-Boc-2-phenylhydrazine - ≥97% , CAS No.42116-43-8

CAS: 42116-43-8 Cat. No.: B469199 Summenformel: C₁₁H₁₆N₂O₂ Molekulargewicht: 208.26 EG-Nummer: 803-984-7

GRADE & PURITY ≥97%

Synonyms

tert-Butyl 3-Phenylcarbazate | A825770 | PYEQNXVGJRAEIG-UHFFFAOYSA-N | tert-Butyl2-phenylhydrazinecarboxylate | N'-phenyl(tert-butoxy)carbohydrazide | EN300-313278 | SCHEMBL4254852 | Tert-butyl-2-phenylhydrazin-1-carboxylat | MFCD00958589 | SY117360 | SB8

Storage

Room temperature

Specifications

Synonyme

tert-Butyl 3-Phenylcarbazate | A825770 | PYEQNXVGJRAEIG-UHFFFAOYSA-N | tert-Butyl2-phenylhydrazinecarboxylate | N'-phenyl(tert-butoxy)carbohydrazide | EN300-313278 | SCHEMBL4254852 | Tert-butyl-2-phenylhydrazin-1-carboxylat | MFCD00958589 | SY117360 | SB8

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488194534

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194534

Kanonisches Lächeln

CC(C)(C)OC(=O)NNC1=CC=CC=C1

IUPAC Name

tert-butyl N-anilinocarbamate

InChIKey

PYEQNXVGJRAEIG-UHFFFAOYSA-N

INCHI

1S/C11H16N2O2/c1-11(2,3)15-10(14)13-12-9-7-5-4-6-8-9/h4-8,12H,1-3H3,(H,13,14)

Isomere SMILES

CC(C)(C)OC(=O)NNC1=CC=CC=C1

WGK Deutschland

3

Molekulargewicht

208.26

Reaxy-Rn

958094

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=958094&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 90-94 °C
• Molekulargewicht: 208.260 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.121 Da
• Monoisotopic Mass: 208.121 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 205.000
• 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