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Molecule
Chlordimeform
CAS: 6164-98-3 · C10H13ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6164-98-3
- Molecular Formula
- C10H13ClN2
- Molecular Mass
- 196.68 g/mol
Identifiers
CAS Registry Number
6164-98-3
SMILES
Cc1cc(Cl)ccc1N=CN(C)C
InChI Key
STUSTWKEFDQFFZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3
Names and Synonyms
- Chlordimeform Synonym
- Methanimidamide, N′-(4-chloro-2-methylphenyl)-N,N-dimethyl- Synonym
- Formamidine, N′-(4-chloro-o-tolyl)-N,N-dimethyl- Synonym
- N′-(4-Chloro-2-methylphenyl)-N,N-dimethylmethanimidamide Synonym
- C 8514 Synonym
- Chlorophenamidine Synonym
- N′-(p-Chloro-o-tolyl)-N,N-dimethylformamidine Synonym
- N′-(4-Chloro-o-tolyl)-N,N-dimethylformamidine Synonym
- Chlorphenamidine Synonym
- N,N-Dimethyl-N′-(2-methyl-4-chlorophenyl)formamidine Synonym
- Galecron Synonym
- CIBA 8514 Synonym
- Formamidine, N,N-dimethyl-N′-(2-methyl-4-chlorophenyl)- Synonym
- Chlorophenamidin Synonym
- N′-(2-Methyl-4-chlorophenyl)-N,N-dimethylformamidine Synonym
- Chlordimeform Synonym
- Fundal Synonym
- 1-(2-Methyl-4-chlorophenyl)-3,3-dimethylformamidine Synonym
- Schering 36,268 Synonym
- Fundal 500 Synonym
- RS 141 Synonym
- CDM Synonym
- Acaron Synonym
- CDM (acaricide) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.68 g/mol | CAS Common Chemistry |
| 196.68099999999998 g/mol | RDKit | |
| 196.681 g/mol | RDKit | |
| 196.678 g/mol | chempirical lib | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.105 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlordimeform | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(N=CN(C)C)C(=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=STUSTWKEFDQFFZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35 °C | CAS Common Chemistry |
| Name | Chlordimeform | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 15.6 Ų | RDKit |
| 15.37 Ų | chempirical lib | |
| LogP | 2.8698200000000016 | RDKit |
| 2.8698 | RDKit | |
| Molar Refractivity | 58.028000000000034 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 196.076726096 g/mol | RDKit |
| Boiling Point | 163-165 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 196.68 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13ClN2.
