| CAS Number | 76935-78-9 |
| Catalog Number | AG00JID0(AGN-PC-041CH3) |
| Chemical Name | 2-(2,6-Dimethylphenyl)ethan-1-amine |
| IUPAC Name | 2-(2,6-dimethylphenyl)ethanamine |
| InChI | InChI=1S/C10H15N/c1-8-4-3-5-9(2)10(8)6-7-11/h3-5H,6-7,11H2,1-2H3 |
| InChI Key | NVXJQKFBPRPHND-UHFFFAOYSA-N |
| MDL Number | MFCD01310817 |
| Molecular Formula | C10H15N |
| Molecular Weight | 149.2328 |
| SMILES | CC1=C(CCN)C(C)=CC=C1 |
| Synonyms | 2-(2,6-dimethylphenyl)ethan-1-amine,
2-(2,6-Dimethylphenyl)ethanamine,
76935-78-9,
2-(2,6-dimethylphenyl)ethylamine,
AC1Q2NAD,
SCHEMBL3842079,
Benzeneethanamine, 2,6-dimethyl-,
ALBB-030451,
ZINC2574329,
2-(2,6-Dimethylphenyl)-Ethanamine,
SBB079568,
AKOS005169896,
MCULE-3092254887,
NE30339,
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| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.237g/mol |
| Monoisotopic Mass | 149.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number