3-Methylphenylurea - ≥97% , CAS No.63-99-0

CAS: 63-99-0 Cat. No.: M353832 Fórmula: C₈H₁₀N₂O Peso molecular: 150.18 Número CE: 200-571-8

GRAU & PUREZA ≥97%

Synonyms

(3-Methylphenyl)urea | 1-(m-Tolyl)urea | EINECS 200-571-8 | M-METHYLPHENYLUREA | Urea, m-tolyl- | SCHEMBL166848 | FT-0629024 | N-[3-methylphenyl]urea | NSC 2177 | DTXSID1075351 | 1-m-tolylurea | (2S,3S)-3-AMINO-2-HYDROXY-5-METHYL-HEXANOICACID | 3-Tolylcar

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

(3-Methylphenyl)urea | 1-(m-Tolyl)urea | EINECS 200-571-8 | M-METHYLPHENYLUREA | Urea, m-tolyl- | SCHEMBL166848 | FT-0629024 | N-[3-methylphenyl]urea | NSC 2177 | DTXSID1075351 | 1-m-tolylurea | (2S,3S)-3-AMINO-2-HYDROXY-5-METHYL-HEXANOICACID | 3-Tolylcar

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488180015

Sorrisos canónicos

CC1=CC(=CC=C1)NC(=O)N

IUPAC Name

(3-methylphenyl)urea

InChIKey

UVQVMNIYFXZXCI-UHFFFAOYSA-N

INCHI

1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

SMILES isoméricas

CC1=CC(=CC=C1)NC(=O)N

Peso molecular

150.18

Reaxy-Rn

2639488

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2639488&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriedades químicas e físicas

• Ponto de fusão (°C): 139-142°C
• Peso molecular: 150.180 g/mol
• XLogP3: 1.300
• 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: 147.000
• 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