CAS No.: 6967-29-9 — 2-Chloro-N-(2,6-diethylphenyl)acetamide (N-氯乙酰-2，6-二乙基苯胺)

1. Primary Information

English name:	2-Chloro-N-(2,6-diethylphenyl)acetamide
CAS No.:	6967-29-9
Molecular formula:	C₁₂H₁₆ClNO
Molecular weight:	225.71 g/mol
SMILES:	CCC1=C(C(=CC=C1)CC)NC(=O)CCl
Structural class:
Other identifiers:	2-chloro-N-(2,6-diethylphenyl)acetamide CDEPA-2

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	-	896	-20°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 31 0 0 0 0 0 0 0999 V2000 4.1433 -0.4477 0.3433 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8592 0.6725 -1.7931 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8954 0.3700 0.3317 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4209 -0.0041 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4122 0.9698 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7422 -1.3511 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 2.4207 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2974 -2.4175 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7246 0.5969 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0547 -1.7239 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -0.7499 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2529 2.8734 1.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4245 -2.9369 1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9211 0.6847 -0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 1.0431 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 2.6624 -0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7712 3.0187 -0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 -3.2573 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 -2.0735 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5082 1.3440 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -2.7694 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0679 -1.0405 -0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1249 0.3604 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2732 2.7071 1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0322 3.9420 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5687 2.3309 2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 -2.1390 2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1812 -3.7264 1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5235 -3.3532 1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0306 1.4948 1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7858 1.7417 -0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-chloro-N-(2,6-diethylphenyl)acetamide

4.2 InChI

InChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)

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)