CAS No.: 2431-96-1 — N,N-Diethyl-2-phenylacetamide (N,N-二乙基苯乙酰胺)

1. Primary Information

English name:	N,N-Diethyl-2-phenylacetamide
CAS No.:	2431-96-1
Molecular formula:	C₁₂H₁₇NO
Molecular weight:	191.27 g/mol
SMILES:	CCN(CC)C(=O)CC1=CC=CC=C1
Structural class:
Other identifiers:	diethyl phenyl acetamide N,N-diethyl-2-phenylacetamide N,N-diethylphenylacetamide

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	98%	214	RT	in stock	-
Kehua Intelligence	5g	98%	660	RT	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 0.5340 -1.1857 -0.9189 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 0.0007 -0.0353 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3631 -0.7855 -0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 1.0874 0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 0.6397 0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9568 -0.2698 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4575 0.3141 0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7933 -1.9579 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 2.3749 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1177 0.9306 -0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -0.5962 1.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 0.6295 -1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4463 -0.8973 0.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1233 -0.2844 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 -1.1686 -1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 -0.1412 -0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1318 1.2522 1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7659 0.8014 1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1772 0.5449 1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1726 1.6838 0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -1.6211 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 -2.6174 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5591 -2.5460 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6862 2.2634 -0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0101 2.6894 -0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2895 3.1812 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 1.6418 -1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 -1.0809 1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 1.1061 -1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9634 -1.6095 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1675 -0.5192 -0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 9 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 13 2 0 0 0 0 11 28 1 0 0 0 0 12 14 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N,N-diethyl-2-phenylacetamide

4.2 InChI

InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

4.3 InChIKey

UXDAWVUDZLBBAM-UHFFFAOYSA-N

4.4 Canonical SMILES

CCN(CC)C(=O)CC1=CC=CC=C1

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)