3,4'-oxydianiline

Name: 3,4'-oxydianiline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C12H12N2O

Molecular Weight:

200.24

CAS Number:

2657-87-6

Catalog Number:

2657-87-6

Product Information

Molecular Formula:

C12H12N2O

Molecular Weight:

200.24

Description

3,4-Dimethylbenzophenone is a potent bioactive compound. It is used to develop drugs to address a variety of diseases including cancer, cardiovascular disease, and autoimmune diseases.

Synonyms

3,4'-ODA; 4-(3-AMINO-PHENOXY)-PHENYLAMINE; 3,4'-DPE; 3,4'-DIAMINODIPHENYL ETHER; 3,4'-DIAMINOPHENYL ETHER; 3-(4-aminophenoxy)aniline; 3,4'-Oxydianiline(3,4'-ODA); 3,4'-DiaminodiphenylEther>99.0%

IUPAC Name

3-(4-aminophenoxy)aniline

Canonical SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)N

InChI

InChI=1S/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H2

InChI Key

ZBMISJGHVWNWTE-UHFFFAOYSA-N

Boiling Point

206.5 °C1 mm Hg(lit.)

Melting Point

67-71 °C(lit.)

Purity

>97.0%(GC)(T)

Density

1.216g/cm3

Refractive Index

1.6660 (estimate)

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

2.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

200.094963011 g/mol

Monoisotopic Mass

200.094963011 g/mol

Topological Polar Surface Area

61.3Å²

Heavy Atom Count

Formal Charge

Complexity

190

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

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Literatures

PMID	Publication Date	Title	Journal
18406152	2008-05-01	Design, synthesis, and biological evaluation of glycine-based molecular tongs as inhibitors of Abeta1-40 aggregation in vitro	Bioorganic & medicinal chemistry