Acrolein 2,4-dinitrophenylhydrazone

CAT: 0127-OR1032559-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1032559-01Size:100 mg

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CAS Number

888-54-0

Purity

98%

Smiles

C=CC=NNC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

Chemical Information

2,4-dinitro-N-(prop-2-enylideneamino)aniline

CAS Number	888-54-0
PubChem CID	9568683
IUPAC Name	2,4-dinitro-N-[(E)-prop-2-enylideneamino]aniline
Molecular Formula	C9H8N4O4
Molecular Weight	236.18
XLogP	1.4
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	333

SMILES

C=C/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O4/c1-2-5-10-11-8-4-3-7(12(14)15)6-9(8)13(16)17/h2-6,11H,1H2/b10-5+

InChIKey

JJPZHGIYUVFTGG-BJMVGYQFSA-N

Chemical Structure

2D Structure

CAS: 888-54-0

CID: 9568683

Formula: C9H8N4O4

MW: 236.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.18
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	236.05455475
Monoisotopic Mass	236.05455475
Topological Polar Surface Area	116 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	333
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
OR1079124-01	Isovaleraldehyde 2,4-Dinitrophenylhydrazone
OR1024896-01	Valeraldehyde 2,4-Dinitrophenylhydrazone
OR1029245-01	Benzaldehyde 2,4-Dinitrophenylhydrazone
OR1044236-01	Isobutyraldehyde 2,4-dinitrophenylhydrazone
OR1044041-01	Butyraldehyde 2,4-dinitrophenylhydrazone
OR1027545-01	Cyclohexanone 2,4-Dinitrophenylhydrazone
OR1029256-01	Propionaldehyde 2,4-Dinitrophenylhydrazone
OR1029227-01	Hexanal 2,4-Dinitrophenylhydrazone
OR1027149-01	Acetaldehyde 2,4-Dinitrophenylhydrazone
OR1025680-01	Crotonaldehyde 2,4-Dinitrophenylhydrazone

Catalog	Name
TRC-A191220-100MG	Acrolein 2,4-Dinitrophenylhydrazone
sc-239198	Acrolein-2,4-dinitrophenylhydrazone
TRC-A191222-5MG	Acrolein 2,4-Dinitrophenylhydrazone-d3
TRC-A191223-1MG	Acrolein 2,4-Dinitrophenylhydrazone-13C6
HY-141856S	Acrolein 2,4-dinitrophenylhydrazone-3,5,6-d3
AAA88854-01	Acrolein-2,4-DNPH
418932-01	2-Neopentyl-acrolein
FF71266-01	Furan-2-acrolein
384947	Acrolein (Acrolein Modified Protein, Acrolein Conjugated Protein, 2-Propen-1-One, 2-Propenal, Acraldehyde, Acrolein, Acrylic Aldehyde, Protein-Bound Acrolein)
sc-484937	β- (4-Pyridyl) acrolein Oxalate