| CAS Number | 1016726-78-5 |
| Catalog Number | AG01BFVA |
| Chemical Name | 2-{[methyl(phenyl)amino]methyl}aniline |
| IUPAC Name | 2-[(N-methylanilino)methyl]aniline |
| InChI | InChI=1S/C14H16N2/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h2-10H,11,15H2,1H3 |
| InChI Key | BBYPKUHVITZYQF-UHFFFAOYSA-N |
| MDL Number | MFCD09806907 |
| Molecular Formula | C14H16N2 |
| Molecular Weight | 212.2902 |
| SMILES | CN(C1=CC=CC=C1)CC1=C(N)C=CC=C1 |
| Synonyms | 2-{[methyl(phenyl)amino]methyl}aniline,
1016726-78-5,
ZINC19264448,
AKOS000148481,
NE29446,
Z1945695972,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.296g/mol |
| Monoisotopic Mass | 212.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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