O-Dianisidine

CAT: 0024-sc-215608Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-215608Size:5 g

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CAS Number

119-90-4

Chemical Information

Dianisidine

3,3'-Dimethoxybenzidine (o-Dianisidine) can cause cancer according to an independent committee of scientific and health experts.

CAS Number	119-90-4
PubChem CID	8411
IUPAC Name	4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
Molecular Formula	C14H16N2O2
Molecular Weight	244.29
XLogP	2.2
Topological Polar Surface Area	70.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	236

SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

InChI

InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3

InChIKey

JRBJSXQPQWSCCF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119-90-4

CID: 8411

Formula: C14H16N2O2

MW: 244.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.29
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	244.121177757
Monoisotopic Mass	244.121177757
Topological Polar Surface Area	70.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-473252	O, O', O''-Triethyl Phosphorothioate
sc-493087	O, O-Dimethylamidothiophosphate
sc-493087B	O, O-Dimethylamidothiophosphate
sc-493087A	O, O-Dimethylamidothiophosphate
sc-394230	4-o-Tolyl-o, o′-azotoluene
sc-497687	O, O-Dimethyl-d6
sc-236229	O, O'-Diethyl methylphosphonothioate
sc-219455	O-O-Dibenzyl- (-) -actinonin
sc-236228	O, O'-Diethyl chlorothiophosphate
sc-498464A	O, O-Dimethyl Dithiophosphate

Catalog	Name
TRC-D416498-250MG	o-Dianisidine
GT5099-5g	O-Dianisidine dihydrochloride
HY-D0255	o-Dianisidine (dihydrochloride)
00948 00250	O-Dianisidine 99% Extrapure
D06770	O-Dianisidine dihydrochloride 99%
0948B 00100	O-Dianisidine Reagent Solution
TRC-D416490-5G	o-Dianisidine Dihydrochloride (>90%)
273866-01	O-Dianisidine discontinued. See 241037
13261-01	O-Dianisidine Dihydrochloride extrapure, 98%