CAS No.: 101-80-4 — 4,4'-Oxydianiline (4,4'-二氨基二苯醚)

1. Primary Information

English name:	4,4'-Oxydianiline
CAS No.:	101-80-4
Molecular formula:	C₁₂H₁₂N₂O
Molecular weight:	200.24 g/mol
SMILES:	C1=CC(=CC=C1N)OC2=CC=C(C=C2)N
Structural class:
Other identifiers:	4,4'-diaminodiphenyl ether 4,4'-oxydianiline di-(4-aminophenyl)ether diaminodiphenyl ether

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	104	2-8℃	in stock	-
Kehua Intelligence	250mg	99%	320	2-8℃	in stock	-
Kehua Intelligence	25g	98%	24	2-8℃	in stock	-
Kehua Intelligence	100g	98%	60	2-8℃	in stock	-
Kehua Intelligence	500g	98%	232	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 28 0 0 0 0 0 0 0999 V2000 -0.0014 1.5235 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7609 -1.3501 -0.1231 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7581 -1.3502 0.1231 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1657 0.8196 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1835 0.8072 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 -0.2723 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2966 -0.2723 0.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 1.1910 0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2235 1.1908 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5537 -0.6213 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -0.6214 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4934 -0.9926 -0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4906 -0.9926 0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4203 0.4705 0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 0.4703 -0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4987 -0.5699 -1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 -0.5666 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1279 2.0404 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 2.0403 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5871 -1.8385 -1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 -1.8384 1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 0.7696 1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 0.7694 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8588 -2.1412 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5303 -1.0806 0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8562 -2.1410 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5277 -1.0804 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 10 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 11 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 14 2 0 0 0 0 8 18 1 0 0 0 0 9 15 2 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-(4-aminophenoxy)aniline

4.2 InChI

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

4.3 InChIKey

HLBLWEWZXPIGSM-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1N)OC2=CC=C(C=C2)N

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)