Phenylurethane - ≥98%(HPLC) , CAS No.101-99-5

CAS: 101-99-5 Cat. No.: P160547 Formule: C₉H₁₁NO₂ Poids moléculaire: 165.19 Numéro CE: 202-995-9 PubChem CID: 7591

GRADE & PURITY ≥98%(HPLC)

Synonyms

Ethyl phenylcarbamate | Phenylurethan | Keimstop | EPC (the plant regulator) | Ethylester kyseliny karbanilove [Czech] | N-phenyl carbamic acid ethyl ester | Carbamic acid, phenyl-, ethyl ester | HSDB 5344 | NCGC00342033-01 | NSC3245 | NSC-3245 | Phenylur

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Ethyl phenylcarbamate | Phenylurethan | Keimstop | EPC (the plant regulator) | Ethylester kyseliny karbanilove [Czech] | N-phenyl carbamic acid ethyl ester | Carbamic acid, phenyl-, ethyl ester | HSDB 5344 | NCGC00342033-01 | NSC3245 | NSC-3245 | Phenylur

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 528775255
• Sourires canoniques: CCOC(=O)NC1=CC=CC=C1
• IUPAC Name: ethyl N-phenylcarbamate
• InChIKey: LBKPGNUOUPTQKA-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
• Isomères SMILES: CCOC(=O)NC1=CC=CC=C1
• RTECS: FD8925000
• PubChem CID: 7591
• Poids moléculaire: 165.19
• Reaxy-Rn: 1942785

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylcarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylcarbamic acid esters
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylcarbamic acid ester - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: 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

Cibles associées (non humaines)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility in water: Practically insoluble; Very soluble in Alcohol,Ether
• Indice de réfraction: 1.5375
• Point d'ébullition (°C): 237°C(lit.)
• Point de fusion (°C): 52 °C
• Poids moléculaire: 165.190 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 141.000
• 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