Isoproturon solution - analytical standard, ≥99% , CAS No.34123-59-6

CAS: 34123-59-6 Cat. No.: I110052 Formula: C₁₂H₁₈N₂O Peso molecolare: 206.28 Beilstein Registry Number: 2214033 Numero EC: 251-835-4

QUALITÀ & PUREZZA Analytical standard, ≥99%

Synonyms

CL 12150|Isoproturon [ISO]|IP-Flo|Urea, 1,1-dimethyl-3-(p-isopropylphenyl)-|Iprofile|Graminon|HOE 16410|N'-(4-Isopropylphenyl)-N,N-dimethylurea|N-(4-Isopropylphenyl)-N',N'-dimethylurea|Tolkan|35689 R.P.|ISOPROTURON|Nocilon|3-(4-isopropylphenyl)-1,1-dimethyl-urea;Isoproturon|IPU Stefes|Protugan|Zodiac TX|1,1-dimethyl-3-[4-(propan-2-yl)phenyl]urea|N-(Isopropyl-4-phenyl)-N',N'-dimethyluree [French]|1,1-dimethyl-3-(p-isopropylphenyl)-urea|3-(4-Isopropylphenyl)-1,1-dimethylurea|3-(4-isopropylphenyl)-1,1-dimethyl-urea|N-4-Isopropylphenyl-N,N-dimethylurea|Urea, 3-p-cumenyl-1,1-dimethyl-|N,N-Dimethyl-N'-[4-(1-methylethyl)phenyl]urea|4-isopropylphenyl-N',N'-dimethylurea|ISOPROTURON [MI]|IP 50|Arelon|Urea, N,N-dimethyl-N'-(4-(1-methylethyl)phenyl)-|N,N-Dimethyl-N'-(4-(1-methylethyl)phenyl)urea|N,N-Dimethyl-N'-[4-(1-methylethyl)phenyl]Urea labeled with deuterium|IP50|N-(4-Isopropylphenyl)-N',N'-dimethylharnstoff|N-(Isopropyl-4-phenyl)-N',N'-dimethyluree|Belgran|CGA-18731|DPX 6774|N-(4-Isopropylphenyl)-N',N'-dimethylharnstoff [German]|Urea, N,N-dimethyl-N'-[4-(1-methylethyl)phenyl]-|3-p-Cumenyl-1,1-dimethylurea|1,1-dimethyl-3-(4-propan-2-ylphenyl)urea|Tolken|Alon

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

CL 12150 | Isoproturon [ISO] | IP-Flo | Urea, 1,1-dimethyl-3-(p-isopropylphenyl)- | Iprofile | Graminon | HOE 16410 | N'-(4-Isopropylphenyl)-N,N-dimethylurea | N-(4-Isopropylphenyl)-N',N'-dimethylurea | Tolkan | 35689 R.P. | ISOPROTURON | Nocilon | 3-(4-isopropylphenyl)-1,1-dimethyl-urea;Isoproturon | IPU Stefes | Protugan | Zodiac TX | 1 Mostra altro

Specifiche e purezza

analytical standard, ≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504753555

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753555

Sorrisi canonici

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

IUPAC Name

1,1-dimethyl-3-(4-propan-2-ylphenyl)urea

InChIKey

PUIYMUZLKQOUOZ-UHFFFAOYSA-N

INCHI

1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)

Isomeri SMILES

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

WGK Germania

3

RTECS

YT0170000

Numero UN

1648

Peso molecolare

206.28

Beilstein

2214033

Reaxy-Rn

2214033

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2214033&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: Phenylpropanes Cumenes Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Phenylpropane - Cumene - 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
• Descrizione: 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: Phenylurea herbicides

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

Obiettivi associati (non umani)

Triticum aestivum (1582 Activities)

Explore this target

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

psbA Photosystem Q(B) protein (72 Activities)

Discover Target: psbA

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

Lepidium didymum (4 Activities)

Explore this target

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

Medicago polymorpha (4 Activities)

Explore this target

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

Phalaris minor (20 Activities)

Explore this target

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

Vigna radiata var. radiata (22 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 100 °C
• Punto di infiammabilità (°C): 100°C
• Punto di fusione (°C): 155-156°C
• Peso molecolare: 206.280 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 206.142 Da
• Monoisotopic Mass: 206.142 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 206.000
• 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