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Alachlor
CAS: 15972-60-8 | C14H20ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15972-60-8
Molecular Formula:
C14H20ClNO2
Molecular Mass:
269.77 g/mol
Names and Synonyms:
Alachlor
Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-
Acetanilide, 2-chloro-2′,6′-diethyl-N-(methoxymethyl)-
2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
CP 50144
Lasso
2-Chloro-2′,6′-diethyl-N-methoxymethylacetanilide
2′,6′-Diethyl-N-(methoxymethyl)-2-chloroacetanilide
Alachlor
Metachlor
Methachlor
Lasagrin
Nitala
Alapaz
Satochlor
Lazo
Perfect
Micro-Tech
Alanex
Perfect (herbicide)
Lasso Microtech
Intrro
Identifiers:
SMILES:
CCc1cccc(CC)c1N(COC)C(=O)CCl
InChI:
InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
Key Properties
Boiling Point
100 °C
CAS Common Chemistry
Melting Point
40-41 °C
CAS Common Chemistry
Density
1.13 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 | 269.77 g/mol | CAS Common Chemistry |
| 269.77199999999993 g/mol | RDKit | |
| 269.11825656 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.133 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Alachlor | CAS Common Chemistry |
| Boiling Point | 100 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C=1C(=CC=CC1CC)CC)COC)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XCSGPAVHZFQHGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 40-41 °C | CAS Common Chemistry |
| Name | Alachlor | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| LogP | 2.9871000000000016 | RDKit |
| Molar Refractivity | 75.28000000000004 | RDKit |
