CAS No.: 122-42-9 — Propham (苯胺灵)

1. Primary Information

English name:	Propham
CAS No.:	122-42-9
Molecular formula:	C₁₀H₁₃NO₂
Molecular weight:	179.22 g/mol
SMILES:	CC(C)OC(=O)NC1=CC=CC=C1
Structural class:
Other identifiers:	isopropyl N-phenylcarbamate Merck 4925 Merck-4925 propham

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	360	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	152	2-8℃	in stock	-
Kehua Intelligence	50mg	99%	360	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 26 0 0 0 0 0 0 0999 V2000 2.2832 -0.5262 -0.4715 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 1.4171 -0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 -0.6689 -0.1994 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4678 0.1403 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 0.5600 1.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6615 -0.7864 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3036 -0.3623 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1227 0.1976 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 -1.3825 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 0.9645 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5882 -1.0757 0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0825 1.2713 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0125 0.2512 0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6341 1.0262 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2128 0.9729 1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 1.3238 1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9852 -0.2938 2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5916 -0.3039 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7604 -1.0863 -1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5288 -1.7071 0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2906 -1.6557 -0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9169 -2.4209 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 1.8066 -0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3124 -1.8699 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4143 2.3043 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0671 0.4901 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 10 12 2 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

propan-2-yl N-phenylcarbamate

4.2 InChI

InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)

4.3 InChIKey

VXPLXMJHHKHSOA-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)OC(=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)