CAS No.: 24579-73-5 — Propamocarb (霜霉威)

1. Primary Information

English name:	Propamocarb
CAS No.:	24579-73-5
Molecular formula:	C₉H₂₀N₂O₂
Molecular weight:	188.27 g/mol
SMILES:	CCCOC(=O)NCCCN(C)C
Structural class:
Other identifiers:	Previcur propamocarb propamocarb monohydrochloride propyl(3-(dimethylamino)propyl)carbamate monohydrochloride

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	1.2ml	100μg/ml in methanol	80	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 32 0 0 0 0 0 0 0999 V2000 -2.0637 0.2198 -0.3402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4305 -1.8769 0.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 0.7489 -0.1849 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0762 -0.4143 -0.6376 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0481 -1.0762 0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5972 0.3373 0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2427 -1.2530 -0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 -0.1500 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9276 2.1288 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3971 -0.0400 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2573 1.1836 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 -0.7939 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6876 0.9861 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 -1.8256 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 -1.3062 1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 0.3729 1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7526 1.0337 0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8445 -1.0237 -1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9241 -2.2983 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1677 0.5156 -1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 -0.2530 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3453 0.2280 -1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3464 -1.1433 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5073 2.2489 0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 2.8103 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 2.4553 -0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 -0.2524 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 -0.9103 -0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 2.0593 0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2446 1.4072 -1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7246 0.8002 1.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2829 1.8798 0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1546 0.1383 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

propyl N-[3-(dimethylamino)propyl]carbamate

4.2 InChI

InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)

4.3 InChIKey

WZZLDXDUQPOXNW-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCOC(=O)NCCCN(C)C

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)