| CAS Number | 901273-46-9 |
| Catalog Number | AG01ELOP |
| Chemical Name | 2-(3,4-dimethylphenyl)-2,3-dihydro-1H-isoindol-1-imine |
| IUPAC Name | 2-(3,4-dimethylphenyl)-3H-isoindol-1-imine |
| InChI | InChI=1S/C16H16N2/c1-11-7-8-14(9-12(11)2)18-10-13-5-3-4-6-15(13)16(18)17/h3-9,17H,10H2,1-2H3 |
| InChI Key | OGYYCCXUOVNURD-UHFFFAOYSA-N |
| MDL Number | MFCD06660594 |
| Molecular Formula | C16H16N2 |
| Molecular Weight | 236.3116 |
| SMILES | CC1=C(C)C=C(N2C(=N)C3=C(C=CC=C3)C2)C=C1 |
| Synonyms | 2-(3,4-dimethylphenyl)-2,3-dihydro-1H-isoindol-1-imine,
AC1MXXG8,
2-(3,4-dimethylphenyl)-3H-isoindol-1-imine,
ZINC20255076,
AKOS000122177,
901273-46-9,
CID3772931,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.318g/mol |
| Monoisotopic Mass | 236.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number