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Diaminomaleonitrile

CAT: 0572-TRC-D415155-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D415155-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1187-42-4
Synonyms
2,3-Diaminomaleonitrile; DAMN; Diaminomaleodinitrile; Hydrogen Cyanide Tetramer; (2Z)-2,3-Diamino-2-butenedinitrile; (Z)-2,3-Diamino-2-butenedinitrile;
Hazard Statement
No Data Available
Smiles
N\C(=C(/N)\C#N)\C#N
Molecular Formula
C4H4N4
Molecular Weight
108.1
Shipping Conditions
Room Temperature

Chemical Information

Diaminomaleonitrile

Diaminomaleonitrile is a brown powder. (NTP, 1992)

CAS Number1187-42-4
PubChem CID2723951
IUPAC Name(Z)-2,3-diaminobut-2-enedinitrile
Molecular FormulaC4H4N4
Molecular Weight108.10
XLogP-1
Topological Polar Surface Area99.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity183
SMILES
C(#N)/C(=C(\C#N)/N)/N
InChI
InChI=1S/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2/b4-3-
InChIKey
DPZSNGJNFHWQDC-ARJAWSKDSA-N
Chemical Structure
2D Structure
2D structure of Diaminomaleonitrile
CAS: 1187-42-4
CID: 2723951
Formula: C4H4N4
MW: 108.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight108.10
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass108.043596145
Monoisotopic Mass108.043596145
Topological Polar Surface Area99.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
JH81251Diaminomaleonitrile
RG-D090105-012,3-Diaminomaleonitrile

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