Promecarb - analytical standard, ≥98.5% , CAS No.2631-37-0

CAS: 2631-37-0 Cat. No.: P109993 Summenformel: C₁₂H₁₇NO₂ Molekulargewicht: 207.27 Beilstein Registry Number: 2111695 EG-Nummer: 220-113-0

GRADE & PURITY Analytical standard, ≥98.5%

Synonyms

3-Isopropyl-5-methylphenyl N-methylcarbamate | OMS 716 | 3-Methyl-5-isopropylphenyl methylcarbamate | ENT 27300 | ENT 27300-A | SCHEMBL121314 | 3-Methyl-5-(1-methylethyl)phenol methylcarbamate | Carbamic acid, m-cym-5-yl ester | AI3-27300 | Phenol, 3-meth

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

3-Isopropyl-5-methylphenyl N-methylcarbamate | OMS 716 | 3-Methyl-5-isopropylphenyl methylcarbamate | ENT 27300 | ENT 27300-A | SCHEMBL121314 | 3-Methyl-5-(1-methylethyl)phenol methylcarbamate | Carbamic acid, m-cym-5-yl ester | AI3-27300 | Phenol, 3-meth

Spezifikationen & Reinheit

analytical standard, ≥98.5%

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Analytischer Standard

Reinheit

≥98.5%

Namen und Kennungen

• Pubchem Sid: 528773206
• Kanonisches Lächeln: CC1=CC(=CC(=C1)OC(=O)NC)C(C)C
• IUPAC Name: (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
• InChIKey: DTAPQAJKAFRNJB-UHFFFAOYSA-N
• INCHI: 1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
• Isomere SMILES: CC1=CC(=CC(=C1)OC(=O)NC)C(C)C
• WGK Deutschland: 3
• RTECS: FB8050000
• UN-Nummer: 2757
• Verpackungsgruppe: I
• Molekulargewicht: 207.27
• Beilstein: 2111695
• Reaxy-Rn: 2111695
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2111695&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenyl methylcarbamates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenyl methylcarbamates
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl methylcarbamates
• Alternative Parents: Phenylpropanes Cumenes Phenoxy compounds Toluenes Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl methylcarbamate - Cumene - Phenylpropane - Phenoxy compound - Toluene - Carbamic acid ester - Carbonic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenyl methylcarbamates. These are aromatic compounds containing a methylcarbamic acid esterified with a phenyl group.
• External Descriptors: Carbamate insecticide

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

Zugehörige Ziele (nicht menschlich)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 207.270 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 207.126 Da
• Monoisotopic Mass: 207.126 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 216.000
• 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