Solvent Red 197 - ≥98%(HPLC) , CAS No.52372-39-1

CAS: 52372-39-1 Cat. No.: S161237 分子式: C₂₃H₁₉N₅O 分子量: 381.44 EC番号: 257-885-3 PubChem CID: 104185

GRADE & PURITY ≥98%(HPLC)

Synonyms

SCHEMBL2390884 | 3-(Diethylamino)-7-imino-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile | EINECS 257-885-3 | 3-(Diethylamino)-7-imino-7H-(1)benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile | AKOS004090572 | 3-(Diethy

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

同義語

SCHEMBL2390884 | 3-(Diethylamino)-7-imino-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile | EINECS 257-885-3 | 3-(Diethylamino)-7-imino-7H-(1)benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile | AKOS004090572 | 3-(Diethy

仕様と純度

≥98%(HPLC)

保管条件

Protected from light,Room temperature

入荷

Normal

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

528775198

カノニカル・スマイル

CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C54)C#N)O2

IUPAC Name

17-(diethylamino)-11-imino-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile

InChIKey

FXFIDVQMNRVEGQ-UHFFFAOYSA-N

INCHI

1S/C23H19N5O/c1-3-27(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)22(25)28-19-8-6-5-7-18(19)26-23(16)28/h5-12,25H,3-4H2,1-2H3

異性体SMILES

CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C54)C#N)O2

PubChem CID

104185

分子量

381.44

Reaxy-Rn

1092311

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyranopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranopyridines
• Alternative Parents: 1-benzopyrans Imidazo[1,2-a]pyridines Benzimidazoles Dialkylarylamines Pyridines and derivatives N-substituted imidazoles Imidolactams Benzenoids Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyran - Pyranopyridine - 1-benzopyran - Benzimidazole - Imidazo[1,2-a]pyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-substituted imidazole - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Imidazole - Azole - Tertiary amine - Nitrile - Carbonitrile - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.
• 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

化学的性質と物理的性質

• 感度: Light Sensitive
• 分子量: 381.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 381.159 Da
• Monoisotopic Mass: 381.159 Da
• Topological Polar Surface Area: 77.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 803.000
• 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