| CAS Number | 1019501-43-9 |
| Catalog Number | AG01C21P |
| Chemical Name | 2-chloro-N-(2-methylpropyl)aniline |
| IUPAC Name | 2-chloro-N-(2-methylpropyl)aniline |
| InChI | InChI=1S/C10H14ClN/c1-8(2)7-12-10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3 |
| InChI Key | QEMSHQQIJMBEMP-UHFFFAOYSA-N |
| MDL Number | MFCD11145113 |
| Molecular Formula | C10H14ClN |
| Molecular Weight | 183.6779 |
| SMILES | CC(CNC1=C(Cl)C=CC=C1)C |
| Synonyms | 2-chloro-N-(2-methylpropyl)aniline,
1019501-43-9,
SCHEMBL8006423,
ZINC19942562,
AKOS000239123,
Z1343131398,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.679g/mol |
| Monoisotopic Mass | 183.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number