N-[5-(Phenylamino)-2,4-pentadienylidene]aniline monohydrochloride - ≥98% , CAS No.1497-49-0

CAS: 1497-49-0 Cat. No.: P124557 Peso molecular: 284.78 Beilstein Registry Number: 3916924 Número EC: 216-094-3

GRADE & PURITY ≥98%

Synonyms

N-[(1E,3E,5E)-5-(PHENYLIMINO)PENTA-1,3-DIEN-1-YL]ANILINE HYDROCHLORIDE | Pentadienedianiline hydrochloride | Glutacondianil hydrochloride | (E)-N-((2E,4E)-5-(Phenylamino)penta-2,4-dien-1-ylidene)aniline hydrochloride | Glutaconaldehydedianil HCl | N-[5-(P

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

A tricarbocyanine laser dye.

Specifications

Sinónimos

N-[(1E, 3E, 5E)-5-(PHENYLIMINO)PENTA-1, 3-DIEN-1-YL]ANILINE HYDROCHLORIDE | Pentadienedianiline hydrochloride | Glutacondianil hydrochloride | (E)-N-((2E, 4E)-5-(Phenylamino)penta-2, 4-dien-1-ylidene)aniline hydrochloride | Glutaconaldehydedianil HCl | N-[5-(P

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)NC=CC=CC=NC2=CC=CC=C2.Cl
• IUPAC Name: N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
• InChIKey: VUCMMJBDNXZQDJ-ZUJIUJENSA-N
• INCHI: 1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H/b9-3+,14-8+,19-15?
• Isómeros SMILES: C1=CC=C(C=C1)N/C=C/C=C/C=NC2=CC=CC=C2.Cl
• WGK Alemania: 3
• Peso molecular: 284.78
• Beilstein: 3916924
• Reaxy-Rn: 3916924
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3916924&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Shiff bases Propargyl-type 1,3-dipolar organic compounds Enamines Allylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Shiff base - Allylamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Aldimine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Imine - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 173-175°C
• Peso molecular: 284.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 284.108 Da
• Monoisotopic Mass: 284.108 Da
• Topological Polar Surface Area: 24.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 305.000
• 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

Referencias

1. Qiang Hu, Kesi Wang, Liyan Qiu.  (2020)  6-Aminocaproic acid as a linker to improve near-infrared fluorescence imaging and photothermal cancer therapy of PEGylated indocyanine green.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:33017715] [10.1016/j.colsurfb.2020.111372]

2. Wusen Zhou, Jiacheng Gong, Shan Lu, Zhuo Li, Yan Long, Xingjun Li, Renfu Li, Xiaoying Shang, Yan Liu, Datao Tu, Zhuo Chen, Xueyuan Chen.  (2024)  Cypate-sensitized upconversion nanoprobes for intracellular and in-vivo ATP ratiometric detection.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.152332]

3. Jiacheng Gong, Wusen Zhou, Zhuo Li, Xingjun Li, Wen Yuan, Xiaobo Gu, Qianqian Niu, Yan Liu, Jin Xu, Renfu Li, Datao Tu, Shan Lu, Xueyuan Chen.  (2025)  Unveiling the Excited-State Dynamics and Interfacial Interactions in Dye-Sensitized NaNdF4 Nanoparticles for Efficient Photothermal Effect.  Advanced Science,      [PMID:40317880] [10.1002/advs.202503110]