p-Tolylurea - ≥98% , CAS No.622-51-5

CAS: 622-51-5 Cat. No.: P160545 Fórmula: C₈H₁₀N₂O Peso molecular: 150.18 Beilstein Registry Number: 12(3)2082 Número EC: 210-739-2 PubChem CID: 12148

GRADE & PURITY ≥98%

Synonyms

DTXSID7021366 | 4-Tolylurea | TOLYLUREA, P- | 1-p-tolylurea | AKOS000113516 | CCRIS 4875 | CAS-622-51-5 | UNII-JCJ6M4A3I5 | DTXCID901366 | STL124178 | EN300-16680 | MFCD00025433 | SCHEMBL81433 | N-(4-Methylphenyl)urea | P-TOLYLUREA | p-Tolyurea | WLN: ZVM

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID7021366 | 4-Tolylurea | TOLYLUREA, P- | 1-p-tolylurea | AKOS000113516 | CCRIS 4875 | CAS-622-51-5 | UNII-JCJ6M4A3I5 | DTXCID901366 | STL124178 | EN300-16680 | MFCD00025433 | SCHEMBL81433 | N-(4-Methylphenyl)urea | P-TOLYLUREA | p-Tolyurea | WLN: ZVM

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 528771449
• Sonrisas canónicas: CC1=CC=C(C=C1)NC(=O)N
• IUPAC Name: (4-methylphenyl)urea
• InChIKey: DMSHKWHLXNDUST-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
• Isómeros SMILES: CC1=CC=C(C=C1)NC(=O)N
• RTECS: YU4200000
• PubChem CID: 12148
• Peso molecular: 150.18
• Beilstein: 12(3)2082
• Reaxy-Rn: 2208088

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Toluenes Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Toluene - Urea - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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 n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea 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): 180 °C
• Peso molecular: 150.180 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.079 Da
• Monoisotopic Mass: 150.079 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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