CAS No.: 23950-58-5 — Propyzamide (戊炔草胺)

1. Primary Information

English name:	Propyzamide
CAS No.:	23950-58-5
Molecular formula:	C₁₂H₁₁Cl₂NO
Molecular weight:	256.12 g/mol
SMILES:	CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
Structural class:
Other identifiers:	3,5-dichloro-N-(1,1-dimethyl-2-propynyl)benzamide Kerb N-(1,1-dimethylpropynyl)-3,5-dichlorobenzamide pronamide propisamide

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene:acetone(9:1)	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	360	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	152	2-8℃	in stock	-
Kehua Intelligence	100mg	HPLC≥98%	328	2-8℃	in stock	-
Kehua Intelligence	1g	≥98%(HPLC)	36	2-8℃	in stock	-
Kehua Intelligence	5g	≥98%(HPLC)	84	2-8℃	in stock	-
Kehua Intelligence	25g	≥98%(HPLC)	352	2-8℃	in stock	-
Kehua Intelligence	100g	≥98%(HPLC)	1264	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 27 0 0 0 0 0 0 0999 V2000 -2.7425 -3.1908 0.3187 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 1.8383 -0.5689 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 1.9712 0.6334 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -0.0811 -0.0809 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9166 0.2536 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 0.6238 1.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 1.4383 -0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 0.8221 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 0.3171 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7178 -0.9170 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 1.2162 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -1.0350 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -1.5094 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2006 0.7418 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4631 -0.6209 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3698 -1.8682 -0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 -0.9850 -0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7724 1.5447 1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -0.1740 2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3378 0.7739 1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2928 1.6413 -0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 1.2323 -1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7324 2.3675 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6903 2.2775 -0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3241 -1.7430 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4821 -0.9908 -0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9478 -2.7117 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 16 3 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide

4.2 InChI

InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)

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)