2,2'-Azobis[2-(2-imidazolin-2-yl)propane] Dihydrochloride - ≥98%(HPLC) , CAS No.27776-21-2

CAS: 27776-21-2 Cat. No.: A151317 Peso molecular: 323.27 Número EC: 248-655-3 PubChem CID: 9949101

GRADE & PURITY ≥98%(HPLC)

Synonyms

VA-044 | C12H24Cl2N6 | 1H-Imidazole, 2,2'-[1,2-diazenediylbis(1-methylethylidene)]bis[4,5-dihydro-, hydrochloride (1:2) | 2-(2-{2-[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazen-1-yl}propan-2-yl)-4,5-dihydro-1H-imidazole dihydrochloride | SCHEMBL42875

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

VA-044 | C12H24Cl2N6 | 1H-Imidazole, 2, 2'-[1, 2-diazenediylbis(1-methylethylidene)]bis[4, 5-dihydro-, hydrochloride (1:2) | 2-(2-{2-[2-(4, 5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazen-1-yl}propan-2-yl)-4, 5-dihydro-1H-imidazole dihydrochloride | SCHEMBL42875

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488196461
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196461
• Sonrisas canónicas: CC(C)(C1=NCCN1)N=NC(C)(C)C2=NCCN2.Cl.Cl
• IUPAC Name: bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;dihydrochloride
• InChIKey: LBSPZZSGTIBOFG-UHFFFAOYSA-N
• INCHI: 1S/C12H22N6.2ClH/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;/h5-8H2,1-4H3,(H,13,14)(H,15,16);2*1H
• Isómeros SMILES: CC(C)(C1=NCCN1)N=NC(C)(C)C2=NCCN2.Cl.Cl
• RTECS: NI3506608
• PubChem CID: 9949101
• Peso molecular: 323.27
• Reaxy-Rn: 8168907

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidolactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidolactams
• Alternative Parents: Imidazolines Azo compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidolactam - 2-imidazoline - Azo compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom.
• 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

• Solubilidad: Soluble in water; Degree of Solubility in water: 347 g/l 20 °C; Slightly soluble in Methanol
• Sensibilidad: light sensitive
• Punto de fusión (°C): 190 °C
• Peso molecular: 323.260 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 322.144 Da
• Monoisotopic Mass: 322.144 Da
• Topological Polar Surface Area: 73.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 367.000
• 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: 3

XLogP3

Referencias

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