2,4-Dinitro-2'-methoxydiphenylamine

CAT: 0926-PAA03808-01Size: 5000 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-PAA03808-01Size:5000 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

14038-08-5

MDL Number

MFCD00024384

Smiles

COC1=CC=CC=C1NC2=C (C=C (C=C2) [N+] (=O) [O-]) [N+] (=O) [O-]

Molecular Formula

C13H11N3O5

Molecular Weight

289.24 g/mol

Controlled

Chemical Information

N-(6-Methoxy-4,6-dinitrocyclohexa-2,4-dien-1-yl)aniline

CAS Number	14038-08-5
PubChem CID	53411030
IUPAC Name	6-methoxy-4,6-dinitro-N-phenylcyclohexa-2,4-dien-1-amine
Molecular Formula	C13H13N3O5
Molecular Weight	291.26
XLogP	2.8
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	473

SMILES

COC1(C=C(C=CC1NC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-21-13(16(19)20)9-11(15(17)18)7-8-12(13)14-10-5-3-2-4-6-10/h2-9,12,14H,1H3

InChIKey

PFPFPZGWEHACHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14038-08-5

CID: 53411030

Formula: C13H13N3O5

MW: 291.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.26
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	291.08552052
Monoisotopic Mass	291.08552052
Topological Polar Surface Area	113 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	473
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD00343-01	4,4'-Dinitro-2,2'-bipyridine
FA03232-01	4-Amino-4'-methoxydiphenylamine HCl
FD67674-01	2,6-Dinitro-4-methylaniline
FD66933-01	2,4-Dinitro-5-methylphenylhydrazine
FD67959-01	2,4-Dinitro-5-fluorotoluene
FD67702-01	2,4-Dinitro-m-xylene
FD66879-01	2,6-Dinitro-1,4-phenylenediamine
AAA44566-01	2,6-Dinitro-4- (trifluoromethyl) aniline
FD06170-01	4,4'-Dinitro-2,2'-bipyridine-N, N'-dioxide
FA66900-01	4-Acetamido-2',4'-dinitro-5'-methyldiphenyl sulphone

Catalog	Name
OR1003095-01	2,4-Dinitro-2'-methoxydiphenylamine
D47410	2,4-Dinitro-2-Methoxydiphenylamine
GTR19254243-01	4-Methoxydiphenylamine
270640-01	4,4'-Dinitro-2,2'-bipyridine
TRC-D479980-5MG	2,2'-Dinitro-4,4'-azoxytoluene
028220-01	2,4-Dinitro Aniline
3120180	2,4 - Dinitro phenylhydrazine
272752-01	4,4'-Dinitro-2-biphenylamine
sc-214283	4,4′-Dinitro-2-biphenylamine
D3697-20	4,4’-Dinitro-2-biphenylamine