2,3-Diaminobut-2-enedinitrile

CAT: 0024-sc-275243Size: 2 gDry Ice: NoHazardous: No

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CAT#:0024-sc-275243Size:2 g

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CAS Number

18514-52-8

Chemical Information

Diaminomaleonitrile

Diaminomaleonitrile is a brown powder. (NTP, 1992)

CAS Number	18514-52-8
PubChem CID	2723951
IUPAC Name	(Z)-2,3-diaminobut-2-enedinitrile
Molecular Formula	C4H4N4
Molecular Weight	108.10
XLogP	-1
Topological Polar Surface Area	99.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	183

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

CAS: 18514-52-8

CID: 2723951

Formula: C4H4N4

MW: 108.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	108.10
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	108.043596145
Monoisotopic Mass	108.043596145
Topological Polar Surface Area	99.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-346264	3-Amino-2- (2-chloro-acetyl) -but-2-enenitrile
sc-346264A	3-Amino-2- (2-chloro-acetyl) -but-2-enenitrile
sc-311700	(2Z) -3- (3,4-Dimethylphenyl) but-2-enenitrile
sc-343572A	2- (1,3-benzothiazol-2-yl) -4-chloro-3-methylbut-2-enenitrile
sc-343572	2- (1,3-benzothiazol-2-yl) -4-chloro-3-methylbut-2-enenitrile
sc-346266	3-Amino-2- (2-piperidin-1-yl-acetyl) -but-2-enenitrile
sc-346266A	3-Amino-2- (2-piperidin-1-yl-acetyl) -but-2-enenitrile
sc-343779A	(2E) -3-ethoxy-2- (4-phenyl-1,3-thiazol-2-yl) but-2-enenitrile
sc-343777	(2E) -3-amino-2- (2-amino-1,3-thiazol-4-yl) but-2-enenitrile
sc-343779	(2E) -3-ethoxy-2- (4-phenyl-1,3-thiazol-2-yl) but-2-enenitrile

Catalog	Name
OR3131-01	2,3-Diaminobut-2-ene-1,4-dinitrile
GTR19275331-01	Hex-3-enedinitrile
OR25306	2-amino-3-{[ (2,4-dichloro-1,3-thiazol-5-yl) methyl]amino}but-2-enedinitrile
OR25305	2-amino-3-{[ (2,4-dichloro-1,3-thiazol-5-yl) methylidene]amino}but-2-enedinitrile
OR25314	2- (benzylideneamino) -3-{[ (2,4-dichloro-1,3-thiazol-5-yl) methyl]amino}but-2-enedinitrile
OR25313	2-{[ (2,4-dichloro-1,3-thiazol-5-yl) methyl]amino}-3-[ (2-thienylmethylidene) amino]but-2-enedinitrile
OR25316	2-[ (4-chlorobenzylidene) amino]-3-{[ (2,4-dichloro-1,3-thiazol-5-yl) methyl]amino}but-2-enedinitrile
TRC-D657490-250MG	(E)-N,N'-Dimethyl-1,4-diaminobut-2-ene Dihydrobromide
PC450297	2,2,3,3,3-Pentafluoropropyl 2,2,2-trifluoroethyl carbonate
PC450310	2,2,3,3,3-Pentafluoropropyl 2,2,3,3-tetrafluoropropyl carbonate