| CAS Number | 931992-06-2 |
| Catalog Number | AG01AXG9 |
| Chemical Name | [(2-chlorophenyl)methyl](2-methylbutan-2-yl)amine |
| IUPAC Name | N-[(2-chlorophenyl)methyl]-2-methylbutan-2-amine |
| InChI | InChI=1S/C12H18ClN/c1-4-12(2,3)14-9-10-7-5-6-8-11(10)13/h5-8,14H,4,9H2,1-3H3 |
| InChI Key | SYTNVBSANASSBE-UHFFFAOYSA-N |
| MDL Number | MFCD09688589 |
| Molecular Formula | C12H18ClN |
| Molecular Weight | 211.7310 |
| SMILES | CCC(NCC1=C(Cl)C=CC=C1)(C)C |
| Synonyms | [(2-CHLOROPHENYL)METHYL](2-METHYLBUTAN-2-YL)AMINE,
931992-06-2,
SCHEMBL19570342,
ZINC13718170,
AKOS000228608,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.733g/mol |
| Monoisotopic Mass | 211.113g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number