CAS No.: 31218-83-4 — Propetamphos (异丙氧磷)

1. Primary Information

English name:	Propetamphos
CAS No.:	31218-83-4
Molecular formula:	C₁₀H₂₀NO₄PS
Molecular weight:	281.31 g/mol
SMILES:	CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C
Structural class:
Other identifiers:	propetamphos

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100μg/ml in acetone	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in dichloromethane	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	208	2-8℃	in stock	-
Kehua Intelligence	10mg	90%	800	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 37 36 0 1 0 0 0 0 0999 V2000 2.2903 -1.7850 1.9210 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3302 -0.4516 0.4870 P 0 0 1 0 0 0 0 0 0 0 0 0 1.2384 -0.7528 -0.6888 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9756 0.7616 0.3908 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 1.0169 0.9592 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8139 -1.5339 0.5749 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7777 -0.1867 -0.2955 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3364 0.7143 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 0.9004 -1.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 -1.0206 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3847 0.1557 -1.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9372 2.1096 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3639 1.1971 -1.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8864 -0.1525 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3209 -0.4318 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5475 -2.3520 -0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5748 1.8112 1.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9041 0.0630 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4409 1.8140 -0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3823 0.6337 -2.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 -1.0133 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 0.2151 -1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0788 -0.8936 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7126 0.7119 -2.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3818 2.8100 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8741 2.4941 1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9865 2.1112 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9032 1.4914 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8653 0.3231 -1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4412 2.0175 -2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 0.8288 0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1781 -2.7752 -1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -2.2750 -1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6523 -3.0607 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 2.8600 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 1.5306 2.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6443 1.6900 1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 15 1 0 0 0 0 5 17 1 0 0 0 0 6 15 2 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate

4.2 InChI

InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+

4.3 InChIKey

BZNDWPRGXNILMS-VQHVLOKHSA-N

4.4 Canonical SMILES

CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C

4.5 Isomeric SMILES

CCNP(=S)(OC)O/C(=C/C(=O)OC(C)C)/C

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)