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Propachlor
CAS: 1918-16-7 | C11H14ClNO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1918-16-7
Molecular Formula:
C11H14ClNO
Molecular Mass:
211.69 g/mol
Names and Synonyms:
Propachlor
Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-
Acetanilide, 2-chloro-N-isopropyl-
2-Chloro-N-(1-methylethyl)-N-phenylacetamide
CP 31393
2-Chloro-N-isopropylacetanilide
N-Isopropyl-α-chloroacetanilide
Ramrod 65
Propachlore
Propachlor
Ramrod
α-Chloro-N-isopropylacetanilide
N-Isopropyl-2-chloroacetanilide
Satecid
2-Chloro-N-isopropyl-N-phenylacetamide
Niticid
Bexton 4L
Bexton
Kartex A
Acilid
Muharicid
Albrass
Ramrod Flo
Identifiers:
SMILES:
CC(C)N(C(=O)CCl)c1ccccc1
InChI:
InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
Key Properties
Boiling Point
110 °C @ Press: 0.03 Torr
CAS Common Chemistry
Melting Point
67-76 °C
CAS Common Chemistry
Density
1.24 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.69 g/mol | CAS Common Chemistry |
| 211.69200000000004 g/mol | RDKit | |
| 211.076391748 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.242 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propachlor | CAS Common Chemistry |
| Boiling Point | 110 °C @ Press: 0.03 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C=1C=CC=CC1)C(C)C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MFOUDYKPLGXPGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67-76 °C | CAS Common Chemistry |
| Name | Propachlor | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 2.666800000000001 | RDKit |
| Molar Refractivity | 59.78400000000004 | RDKit |
