CAS No.: 116-85-8 — 1-Amino-4-hydroxyanthraquinone (1-氨基-4-羟基蒽醌)

1. Primary Information

English name:	1-Amino-4-hydroxyanthraquinone
CAS No.:	116-85-8
Molecular formula:	C₁₄H₉NO₃
Molecular weight:	239.23 g/mol
SMILES:	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N
Structural class:
Other identifiers:	1-amino-4-hydroxyanthraquinone C.I. Disperse Red 15 disperse red 15 DR15 dye

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥98%	240	RT	in stock	-
Kehua Intelligence	1g	97%	360	RT	in stock	-
Kehua Intelligence	5g	97%	1360	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 29 0 0 0 0 0 0 0999 V2000 2.2693 2.7657 0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3148 -2.6693 0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 2.6739 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2914 -2.8003 -0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9936 -0.6934 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9907 0.7031 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5524 -0.6988 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 0.6977 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -1.4453 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2839 1.4497 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2086 -1.3890 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 1.4038 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 -1.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7704 1.3934 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 -0.6869 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4112 0.7066 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9729 -0.7024 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9759 0.6911 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 -2.4858 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8014 2.4796 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3663 -1.2120 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 1.2438 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9129 -1.2467 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9182 1.2315 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 -3.2521 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 -3.3680 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 3.1531 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 27 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 11 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 11 2 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-amino-4-hydroxyanthracene-9,10-dione

4.2 InChI

InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2

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)