CAS No.: 150-69-6 — Dulcin ((4-乙氧基苯基)脲)

1. Primary Information

English name:	Dulcin
CAS No.:	150-69-6
Molecular formula:	C₉H₁₂N₂O₂
Molecular weight:	180.20 g/mol
SMILES:	CCOC1=CC=C(C=C1)NC(=O)N
Structural class:
Other identifiers:	dulcin p-ethoxyphenylurea phenetolcarbamide

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	98%	968	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 0 0 0 0 0 0999 V2000 3.0002 -0.4902 0.3813 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4386 -1.3881 -0.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3936 0.7223 -0.0564 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 0.5207 -0.2357 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6766 -0.1926 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0369 0.4175 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 1.1386 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7339 -1.2187 0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 1.4437 0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 -0.9138 0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9227 0.4350 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -0.3136 -0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4837 -0.1607 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 1.9669 0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0519 -2.2573 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4036 2.4854 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2926 -1.7612 0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5061 0.9309 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 1.1874 0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6224 1.7129 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8979 0.3685 -1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6217 -0.8318 0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9082 -1.0794 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5697 0.0212 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7298 1.5341 -0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 4 13 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(4-ethoxyphenyl)urea

4.2 InChI

InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)

4.3 InChIKey

GGLIEWRLXDLBBF-UHFFFAOYSA-N

4.4 Canonical SMILES

CCOC1=CC=C(C=C1)NC(=O)N

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)