| CAS Number | 926253-30-7 |
| Catalog Number | AG019LXS |
| Chemical Name | [1-(2,4-Dimethylphenyl)ethyl](methyl)amine |
| IUPAC Name | 1-(2,4-dimethylphenyl)-N-methylethanamine |
| InChI | InChI=1S/C11H17N/c1-8-5-6-11(9(2)7-8)10(3)12-4/h5-7,10,12H,1-4H3 |
| InChI Key | XTNFDYBRUMIEEW-UHFFFAOYSA-N |
| MDL Number | MFCD09049453 |
| Molecular Formula | C11H17N |
| Molecular Weight | 163.2594 |
| SMILES | CNC(C1=C(C)C=C(C)C=C1)C |
| Synonyms | [1-(2,4-dimethylphenyl)ethyl](methyl)amine,
926253-30-7,
SCHEMBL178621,
AC1Q40S3,
CTK6I4612,
AKOS000132802,
AKOS022476622,
MCULE-8339209034,
NE14203,
EN300-33238,
N-[1-(2,4-DIMETHYLPHENYL)ETHYL]-N-METHYLAMINE,
Z744754824,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.264g/mol |
| Monoisotopic Mass | 163.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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