CAS No.: 1596-84-5 — Daminozide (-)

1. Primary Information

English name:	Daminozide
CAS No.:	1596-84-5
Molecular formula:	C₆H₁₂N₂O₃
Molecular weight:	160.17 g/mol
SMILES:	CN(C)NC(=O)CCC(=O)O
Structural class:
Other identifiers:	Alar-85 B9 regulator daminozide N-(dimethylamino)succinamic acid succinic acid, 2,2-dimethyl hydrazide

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	99%	264	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	2-8℃；避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃；避光	in stock	-
Kehua Intelligence	100g	高纯，98%	64	2-8℃	in stock	-
Kehua Intelligence	500g	高纯，98%	152	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 22 0 0 0 0 0 0 0999 V2000 0.6505 -1.5774 -0.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2605 -0.6611 -0.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3548 1.4179 0.0343 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -0.0724 -0.0182 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 0.4889 0.0073 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6935 0.4117 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8925 -0.5326 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6186 -0.3485 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7076 0.3715 -1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7255 0.2985 1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2143 0.2035 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 1.0550 0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7271 1.0629 -0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 -1.1558 0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 -1.1879 -0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6344 1.5010 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6975 -0.0954 -1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 1.4600 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1675 0.0685 -2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 -0.1698 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1989 -0.0593 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8547 1.3834 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1217 -0.1918 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 11 1 0 0 0 0 2 23 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid

4.2 InChI

InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)

4.3 InChIKey

NOQGZXFMHARMLW-UHFFFAOYSA-N

4.4 Canonical SMILES

CN(C)NC(=O)CCC(=O)O

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)