CAS No.: 101-42-8 — Fenuron (非草隆)

1. Primary Information

English name:	Fenuron
CAS No.:	101-42-8
Molecular formula:	C₉H₁₂N₂O
Molecular weight:	164.20 g/mol
SMILES:	CN(C)C(=O)NC1=CC=CC=C1
Structural class:
Other identifiers:	3-phenyl-1,1-dimethylurea fenuron

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	50mg	99%	352	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 24 0 0 0 0 0 0 0999 V2000 -1.3909 -1.6079 -0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 0.1945 0.0023 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 0.5467 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8799 0.2881 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5536 -0.3859 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7645 1.3527 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -1.0228 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0565 -0.6129 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 1.6421 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 1.0985 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 -1.2769 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6016 -0.2162 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 1.5340 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 2.3805 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6989 -1.9019 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6340 -0.3628 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6426 -0.3876 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8218 -1.6800 -0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 1.8798 0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 2.0761 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5671 2.0680 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 1.9243 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 -2.3002 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6694 -0.4142 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 11 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,1-dimethyl-3-phenylurea

4.2 InChI

InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)

4.3 InChIKey

XXOYNJXVWVNOOJ-UHFFFAOYSA-N

4.4 Canonical SMILES

CN(C)C(=O)NC1=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)