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Acetone azine , CAS No.627-70-3
Basic Description
Synonyms
1,1,4,4-TETRAMETHYL-2,3-DIAZABUTA-1,3-DIENE | Dimethyl ketazine | Acetone ketazine | 2-Propanone 2-(1-methylethylidene)hydrazone | Acetazine
Specifications & Purity
≥95%
Storage Temp
Room temperature,Desiccated
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Hydrazines and derivatives
Intermediate Tree Nodes
Azines
Direct Parent
Ketazines
Alternative Parents
Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Ketazine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as ketazines. These are azines of ketones containing a moiety with the formula R2C=NN=CR2.
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.
Names and Identifiers
Pubchem Sid
504755342
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504755342
IUPAC Name
N-(propan-2-ylideneamino)propan-2-imine
INCHI
InChI=1S/C6H12N2/c1-5(2)7-8-6(3)4/h1-4H3
InChIKey
PFLUPZGCTVGDLV-UHFFFAOYSA-N
Smiles
CC(=NN=C(C)C)C
Isomeric SMILES
CC(=NN=C(C)C)C
Molecular Weight
112.17
Reaxy-Rn
956583
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956583&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Refractive Index
n20/D 1.454 (lit.)
Boil Point(°C)
133° C at 763 mmHg
Melt Point(°C)
-125° C
Molecular Weight
112.170 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
112.1 Da
Monoisotopic Mass
112.1 Da
Topological Polar Surface Area
24.700 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
98.500
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
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