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Home Nitriles 2,3-Diaminobut-2-enedinitrile

2,3-Diaminobut-2-enedinitrile

CAS No.:
18514-52-8
Catalog Number:
AG007RLY
Molecular Formula:
C4H4N4
Molecular Weight:
108.1014
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$19
- +
5g
96%
In Stock USA
United States
$38
- +
25g
96%
In Stock USA
United States
$119
- +
100g
96%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG007RLY
Chemical Name:
2,3-Diaminobut-2-enedinitrile
CAS Number:
18514-52-8
Molecular Formula:
C4H4N4
Molecular Weight:
108.1014
MDL Number:
MFCD00064109
IUPAC Name:
2,3-diaminobut-2-enedinitrile
InChI:
InChI=1S/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2
InChI Key:
DPZSNGJNFHWQDC-UHFFFAOYSA-N
SMILES:
N#C/C(=C(/C#N)\N)/N
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.044g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
108.104g/mol
Monoisotopic Mass:
108.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
-1  
Literature
Title Journal
Conformational and vibrational studies of isomeric hydrogen cyanide tetramers by quantum chemical methods. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120401
New insights into the characterization of 'insoluble black HCN polymers'. Chemistry & biodiversity 20120101
HCN polymers characterized by SSNMR: solid state reaction of crystalline tetramer (diaminomaleonitrile). The Journal of chemical physics 20090407
A novel synthesis of highly substituted imidazo[1,5-a]pyrazine derivatives by 3-CR/2-CR sequence. Molecular diversity 20090201
Revisiting the reaction between diaminomaleonitrile and aromatic aldehydes: a green chemistry approach. Molecules (Basel, Switzerland) 20061111
Properties