| CAS Number | 75746-96-2 |
| Catalog Number | AG01A62L |
| Chemical Name | 3-chloro-N-ethyl-2-methylaniline |
| IUPAC Name | 3-chloro-N-ethyl-2-methylaniline |
| InChI | InChI=1S/C9H12ClN/c1-3-11-9-6-4-5-8(10)7(9)2/h4-6,11H,3H2,1-2H3 |
| InChI Key | VBWPVOYFHBRRDY-UHFFFAOYSA-N |
| MDL Number | MFCD03210691 |
| Molecular Formula | C9H12ClN |
| Molecular Weight | 169.6513 |
| SMILES | CCNC1=C(C)C(Cl)=CC=C1 |
| Synonyms | 3-chloro-N-ethyl-2-methylaniline,
75746-96-2,
SCHEMBL8293625,
N-ethyl-2-methyl-3-chloroaniline,
VBWPVOYFHBRRDY-UHFFFAOYSA-N,
ZINC19905519,
AKOS000230574,
MCULE-1397557922,
Z286519066,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.652g/mol |
| Monoisotopic Mass | 169.066g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number