| CAS Number | 96516-05-1 |
| Catalog Number | AG019TDG(AGN-PC-0EI52G) |
| Chemical Name | 3-[benzyl(methyl)amino]-2,2-dimethylpropanal |
| IUPAC Name | 3-[benzyl(methyl)amino]-2,2-dimethylpropanal |
| InChI | InChI=1S/C13H19NO/c1-13(2,11-15)10-14(3)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3 |
| InChI Key | MIXVFNSHXRSKAF-UHFFFAOYSA-N |
| MDL Number | MFCD16700049 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | CN(CC(C=O)(C)C)CC1=CC=CC=C1 |
| Synonyms | 3-[benzyl(methyl)amino]-2,2-dimethylpropanal,
96516-05-1,
SCHEMBL340999,
ZINC51175728,
AKOS011559187,
NE20698,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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