| CAS Number | 1017433-32-7 |
| Catalog Number | AG01A4J2(AGN-PC-0WO446) |
| Chemical Name | 2-(propan-2-yl)-2,3-dihydro-1H-isoindol-4-amine |
| IUPAC Name | 2-propan-2-yl-1,3-dihydroisoindol-4-amine |
| InChI | InChI=1S/C11H16N2/c1-8(2)13-6-9-4-3-5-11(12)10(9)7-13/h3-5,8H,6-7,12H2,1-2H3 |
| InChI Key | APJPGQBMXQDZDA-UHFFFAOYSA-N |
| MDL Number | MFCD10007253 |
| Molecular Formula | C11H16N2 |
| Molecular Weight | 176.2581 |
| SMILES | CC(N1CC2=C(C=CC=C2N)C1)C |
| Synonyms | 2-(propan-2-yl)-2,3-dihydro-1H-isoindol-4-amine,
1017433-32-7,
ZINC11730926,
AKOS009391902,
NE28632,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.263g/mol |
| Monoisotopic Mass | 176.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number