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

CAS: 42116-43-8 Cat. No.: B469199 Formula: C₁₁H₁₆N₂O₂ Peso molecolare: 208.26 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488194534

Pubchem Sid Url

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

Sorrisi canonici

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)

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 90-94 °C
• Peso molecolare: 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