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

CAS: 34123-59-6 Cat. No.: I110052 分子式: C₁₂H₁₈N₂O 分子量: 206.28 Beilstein Registry Number: 2214033 EC番号: 251-835-4

グレード＆純度 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

仕様

同義語

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 もっと見る

仕様と純度

analytical standard, ≥99%

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥99%

名前と識別子

パブケム・シド

504753555

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

WGKドイツ

3

RTECS

YT0170000

UN番号

1648

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: 100 °C
• 引火点（°C）: 100°C
• 融点（°C）: 155-156°C
• 分子量: 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