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Acetophenone azine - 97%, high purity , CAS No.729-43-1
Basic Description
Synonyms
MFCD00015011 | PhAc azine | A837678 | Ethanone, 1-phenyl-, azine | AS-10685 | Ethanone,1-phenyl-,2-(1-phenylethylidene)hydrazone | SR-01000631677-1 | Acetophenone, azine | Acetophenone-, azine | 1-phenyl-N-[(E)-1-phenylethylideneamino]ethanimine | Ethanon
Specifications & Purity
≥97%
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
Benzene and substituted derivatives Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Ketazine - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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
488195574
IUPAC Name
(E)-1-phenyl-N-[(E)-1-phenylethylideneamino]ethanimine
INCHI
InChI=1S/C16H16N2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3/b17-13+,18-14+
InChIKey
MOKMQSIJAHPSQX-HBKJEHTGSA-N
Smiles
CC(=NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2
Isomeric SMILES
C/C(=N\N=C(\C1=CC=CC=C1)/C)/C2=CC=CC=C2
Molecular Weight
236.32
Reaxy-Rn
745624
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=745624&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
120-124 ℃
Molecular Weight
236.310 g/mol
XLogP3
3.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
236.131 Da
Monoisotopic Mass
236.131 Da
Topological Polar Surface Area
24.700 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
273.000
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
1
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