| CAS Number | 1099671-03-0 |
| Catalog Number | AG01AA6X(AGN-PC-0WO89W) |
| Chemical Name | 2-(3-methylbutan-2-yl)-2,3-dihydro-1H-isoindol-4-amine |
| IUPAC Name | 2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine |
| InChI | InChI=1S/C13H20N2/c1-9(2)10(3)15-7-11-5-4-6-13(14)12(11)8-15/h4-6,9-10H,7-8,14H2,1-3H3 |
| InChI Key | CFLRYVYXBQEJDR-UHFFFAOYSA-N |
| MDL Number | MFCD11655023 |
| Molecular Formula | C13H20N2 |
| Molecular Weight | 204.3113 |
| SMILES | CC(C(N1CC2=C(C=CC=C2N)C1)C)C |
| Synonyms | 2-(3-methylbutan-2-yl)-2,3-dihydro-1H-isoindol-4-amine,
1099671-03-0,
AC1Q1O1X,
AKOS009390577,
NE15257,
EN300-67257,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.317g/mol |
| Monoisotopic Mass | 204.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number