CAS No.: 16118-49-3 — Carbetamex (双酰草胺;卡草胺;N-乙基2-(苯氨基羰基氧基)丙酰胺)

1. Primary Information

English name:	Carbetamex
CAS No.:	16118-49-3
Molecular formula:	C₁₂H₁₆N₂O₃
Molecular weight:	236.27 g/mol
SMILES:	CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1
Structural class:
Other identifiers:	(R)-1-(ethylcarbamoyl)ethyl carbanilate carbetamide

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol(anhydrous)	208	2-8℃	in stock	-
Kehua Intelligence	50mg	99%	320	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 33 0 1 0 0 0 0 0999 V2000 0.9160 1.6209 0.0193 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4055 -0.2930 -1.2588 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 -0.3624 0.9425 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6303 -0.5823 0.6911 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2455 1.0385 -0.1894 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 1.3845 0.4722 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7559 0.0934 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0996 2.5703 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2335 -1.8430 0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4745 0.3450 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -2.2914 -1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 0.6568 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6055 0.8985 -0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5247 -0.8751 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8184 0.2140 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -1.5596 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8843 -1.0150 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 1.3108 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 3.4984 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1067 2.6941 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 2.4438 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 -1.7132 0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -2.5771 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -0.1860 1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 -2.5084 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1104 -1.6221 -1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 -3.2498 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2698 1.9280 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5652 1.8551 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 -1.3593 1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7115 0.6380 -1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7903 -2.5168 1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8286 -1.5479 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 7 2 0 0 0 0 3 12 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate

4.2 InChI

InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m1/s1

4.3 InChIKey

AMRQXHFXNZFDCH-SECBINFHSA-N

4.4 Canonical SMILES

CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1

4.5 Isomeric SMILES

CCNC(=O)[C@@H](C)OC(=O)NC1=CC=CC=C1

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)