Isoprocarb - analytical standard , CAS No.2631-40-5

CAS: 2631-40-5 Cat. No.: I109816 Formule: C₁₁H₁₅NO₂ Poids moléculaire: 193.24 Beilstein Registry Number: 1875020 Numéro CE: 220-114-6

QUALITÉ & PURETÉ Analytical standard

Synonyms

NCGC00255918-01 | Phenol, 2-(1-methylethyl)-, methylcarbamate | Isoprocarbe | NSC191479 | NSC-191479 | AKOS006229087 | BRN 1875020 | Caswell No. 512B | Isoprocarb, BSI, ISO | Isopropyl phenylmethyl carbamate | 714I55QH9K | Isopropylphenol methylcarbamate

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

NCGC00255918-01 | Phenol, 2-(1-methylethyl)-, methylcarbamate | Isoprocarbe | NSC191479 | NSC-191479 | AKOS006229087 | BRN 1875020 | Caswell No. 512B | Isoprocarb, BSI, ISO | Isopropyl phenylmethyl carbamate | 714I55QH9K | Isopropylphenol methylcarbamate

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Noms et identifiants

Pubchem Sid

504752833

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752833

Sourires canoniques

CC(C)C1=CC=CC=C1OC(=O)NC

IUPAC Name

(2-propan-2-ylphenyl) N-methylcarbamate

InChIKey

QBSJMKIUCUGGNG-UHFFFAOYSA-N

INCHI

1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)

Isomères SMILES

CC(C)C1=CC=CC=C1OC(=O)NC

WGK Allemagne

3

RTECS

FB7880000

Numéro ONU

3077

Poids moléculaire

193.24

Beilstein

1875020

Reaxy-Rn

1875020

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1875020&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Organopnictogen compounds Organooxygen compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Phenoxy compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• External Descriptors: Carbamate insecticides

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 96-97°C
• Poids moléculaire: 193.240 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 193.11 Da
• Monoisotopic Mass: 193.11 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 192.000
• 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