N-Boc-1,2-phenyldiamine - ≥95% , CAS No.146651-75-4

CAS: 146651-75-4 Cat. No.: N137470 Peso molecular: 208.26 Número EC: 625-192-9

GRADE & PURITY ≥95%

Synonyms

Cl-1149 | 2-Aminophenylcarbamic acid t-butyl ester | 2-Aminophenyl carbamic acid t-butyl ester | BBL101204 | N-Boc-1,2-phenylenediamine | J-008237 | Monoboc phenylene diamine | AKOS000169541 | SB77431 | STL555000 | tert-butyl(2-aminophenyl)carbamate | SR-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Cl-1149 | 2-Aminophenylcarbamic acid t-butyl ester | 2-Aminophenyl carbamic acid t-butyl ester | BBL101204 | N-Boc-1, 2-phenylenediamine | J-008237 | Monoboc phenylene diamine | AKOS000169541 | SB77431 | STL555000 | tert-butyl(2-aminophenyl)carbamate | SR-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488191051
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191051
• Sonrisas canónicas: CC(C)(C)OC(=O)NC1=CC=CC=C1N
• IUPAC Name: tert-butyl N-(2-aminophenyl)carbamate
• InChIKey: KCZFBLNQOSFGSH-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,12H2,1-3H3,(H,13,14)
• Isómeros SMILES: CC(C)(C)OC(=O)NC1=CC=CC=C1N
• WGK Alemania: 3
• Peso molecular: 208.26
• Reaxy-Rn: 5865721
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5865721&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylcarbamic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylcarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylcarbamic acid esters
• Alternative Parents: Aniline and substituted anilines Carbamate esters Organic carbonic acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylcarbamic acid ester - Aniline or substituted anilines - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
• 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: air sensitive
• Punto de fusión (°C): 109-114°C
• Peso molecular: 208.260 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.121 Da
• Monoisotopic Mass: 208.121 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 223.000
• 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