CAS No.: 20691-84-3 — 3'-Carboxy-4-dimethylaminoazobenzene (间甲基红)

1. Primary Information

English name:	3'-Carboxy-4-dimethylaminoazobenzene
CAS No.:	20691-84-3
Molecular formula:	C₁₅H₁₅N₃O₂
Molecular weight:	269.30 g/mol
SMILES:	CN(C)C1=CC=C(C=C1)N=NC2=CC=CC(=C2)C(=O)O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5g	IND	44	RT,避光	in stock	-
Kehua Intelligence	25g	IND	144	RT,避光	in stock	-
Kehua Intelligence	100g	IND	432	RT,避光	in stock	-
Kehua Intelligence	500g	IND	1440	RT,避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 36 0 0 0 0 0 0 0999 V2000 -6.2510 1.0103 0.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6075 2.5412 -0.2034 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6063 0.3650 -0.1804 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 -0.3635 0.6116 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4631 -0.5198 -0.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 0.1817 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 1.2843 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7072 -1.1023 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -0.1800 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 1.1030 0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3383 -1.2836 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2564 1.5828 0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3992 -0.6683 -0.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8356 -0.7027 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0597 0.2157 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6911 0.3990 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3488 -1.9874 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5727 -1.0690 0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -2.1705 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 1.3640 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 2.2961 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -1.9811 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3398 1.9670 0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9455 -2.2868 0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0815 2.3960 -0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3405 1.4452 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9025 1.8904 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3440 -0.2634 -1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8764 -1.1038 -1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 -1.4633 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2808 1.3963 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6905 -2.8521 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6311 -1.2571 0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1163 -3.1711 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8444 1.7914 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 35 1 0 0 0 0 2 20 2 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 8 11 2 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid

4.2 InChI

InChI=1S/C15H15N3O2/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(10-13)15(19)20/h3-10H,1-2H3,(H,19,20)

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)

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)