Pinacyanol Iodide - ≥90% , CAS No.605-91-4

CAS: 605-91-4 Cat. No.: P160432 분자식: C₂₅H₂₅IN₂ 분자량: 480.39 EC 번호: 210-099-4 PubChem CID: 5463350

GRADE & PURITY ≥90%

Synonyms

T72688 | 1,1'-Diethyl-2,2'-carbocyanine iodide | 1,1-DIETHYL-2,2-CARBOCYANINE IODIDE | 1-ethyl-2-[(1E)-3-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]prop-1-en-1-yl]quinolin-1-ium iodide | QUINALDINE BLUE | Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolin

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

T72688 | 1,1'-Diethyl-2,2'-carbocyanine iodide | 1,1-DIETHYL-2,2-CARBOCYANINE IODIDE | 1-ethyl-2-[(1E)-3-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]prop-1-en-1-yl]quinolin-1-ium iodide | QUINALDINE BLUE | Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolin

사양 및 순도

≥90%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥90%

이름과 식별자

Pubchem Sid

508815541

정식 스마일

CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]

IUPAC Name

(2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;iodide

InChIKey

QWYZFXLSWMXLDM-UHFFFAOYSA-M

INCHI

1S/C25H25N2.HI/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1

이성체 SMILES

CCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-]

RTECS

VC3676870

PubChem CID

5463350

분자량

480.39

Reaxy-Rn

5232486

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Tertiary alkylarylamines Pyridinium derivatives Benzenoids Heteroaromatic compounds Enamines Azacyclic compounds Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Tertiary aliphatic/aromatic amine - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Tertiary amine - Azacycle - Enamine - Amine - Organic iodide salt - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic salt - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• External Descriptors: cyanine dye - organic iodide salt

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

화학 및 물리적 특성

• 감도: light sensitive
• 분자량: 480.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 480.106 Da
• Monoisotopic Mass: 480.106 Da
• Topological Polar Surface Area: 7.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 527.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

XLogP3