CAS No.: 2826-26-8 — Tyrphostin A1 (Tyrphostin A1)

1. Primary Information

English name:	Tyrphostin A1
CAS No.:	2826-26-8
Molecular formula:	C₁₁H₈N₂O
Molecular weight:	184.19 g/mol
SMILES:	COC1=CC=C(C=C1)C=C(C#N)C#N
Structural class:
Other identifiers:	(3,4-dihydroxybenzylidene)malononitrile (3,4-dihydroxyphenyl)methylene propanedinitrile 3,4-dihydroxybenzylidenemalononitrile RG 50810 RG-50810

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	99%	128	2-8℃	in stock	-
Kehua Intelligence	100mg	99%	384	2-8℃	in stock	-
Kehua Intelligence	250mg	99%	640	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 22 0 0 0 0 0 0 0999 V2000 4.0366 -0.1372 0.3446 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9004 0.8256 -0.3131 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 -2.5068 0.3284 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0254 0.6419 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7048 0.1180 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5954 0.7169 1.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.3049 -1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 0.4550 1.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 0.0429 -1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4486 0.9156 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4577 0.0130 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7376 -0.4759 -0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8047 0.4624 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2023 -1.3763 0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 0.9786 2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 0.2432 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 0.5151 2.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 -0.2128 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 1.9668 -0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 0.3494 -1.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3651 -1.4101 -1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -0.6461 -0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 13 3 0 0 0 0 3 14 3 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[(4-methoxyphenyl)methylidene]propanedinitrile

4.2 InChI

InChI=1S/C11H8N2O/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3

4.3 InChIKey

UOHFCPXBKJPCAD-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC=C(C=C1)C=C(C#N)C#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)