Diacetyl Bis (2,4-dinitrophenylhydrazone)

CAT: 0024-sc-391603Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-391603Size:1 g

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CAS Number

1179-29-9

Chemical Information

N-[3-[(2,4-dinitrophenyl)hydrazinylidene]butan-2-ylideneamino]-2,4-dinitroaniline

CAS Number	1179-29-9
PubChem CID	6813044
IUPAC Name	N-[3-[(2,4-dinitrophenyl)hydrazinylidene]butan-2-ylideneamino]-2,4-dinitroaniline
Molecular Formula	C16H14N8O8
Molecular Weight	446.33
XLogP	4.3
Topological Polar Surface Area	232
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	730

SMILES

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C16H14N8O8/c1-9(17-19-13-5-3-11(21(25)26)7-15(13)23(29)30)10(2)18-20-14-6-4-12(22(27)28)8-16(14)24(31)32/h3-8,19-20H,1-2H3

InChIKey

XCSLKVHFIVYYTR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1179-29-9

CID: 6813044

Formula: C16H14N8O8

MW: 446.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	446.33
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	446.09345943
Monoisotopic Mass	446.09345943
Topological Polar Surface Area	232 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	730
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-215073	Glutaraldehyde 2,4-dinitrophenylhydrazone
sc-215145	Hexanal 2,4-dinitrophenylhydrazone
sc-228875	Octanal 2,4-dinitrophenylhydrazone
sc-214778	Crotonaldehyde-2,4-dinitrophenylhydrazone
sc-215307	Methacrolein-2,4-dinitrophenylhydrazone
sc-215751	Propionaldehyde-2,4-dinitrophenylhydrazone
sc-239198	Acrolein-2,4-dinitrophenylhydrazone
sc-214464	Acetone-2,4-dinitrophenylhydrazone
sc-214582	Benzaldehyde-2,4-dinitrophenylhydrazone
sc-214787	Cyclohexanone 2,4-dinitrophenylhydrazone

Catalog	Name
TRC-D422550-1G	Diacetyl 2,4-Dinitrophenylhydrazone
TRC-D422530-2.5G	Diacetyl Bis(2,4-dinitrophenylhydrazone)
271810-01	Diacetyl bis (2,4-dinitrophenylhydrazone)
T01520-01	3,4-Diacetyl-2,5-hexanedione
GTR19260026-01	4,7-Diacetyl-genistein
271813-01	1,4-Diacetyl-2-butyne-1,4-diol
420056-01	2,4-Diacetyl Deuteroporphyrin IX Dimethyl Ester
OR22027	N1- (2,4-Diacetyl-5-hydroxyphenyl) acetamide
824705	Diacetyl Monoxine Solution 2%
704001	DIACETYL (2,3‐BUTANEDIONE)