| CAS Number | 307990-26-7 |
| Catalog Number | AG01AA7I |
| Chemical Name | 5-amino-2-(cyclopropylmethyl)-2,3-dihydro-1H-isoindole-1,3-dione |
| IUPAC Name | 5-amino-2-(cyclopropylmethyl)isoindole-1,3-dione |
| InChI | InChI=1S/C12H12N2O2/c13-8-3-4-9-10(5-8)12(16)14(11(9)15)6-7-1-2-7/h3-5,7H,1-2,6,13H2 |
| InChI Key | UERFHNPWKVKJIU-UHFFFAOYSA-N |
| MDL Number | MFCD11168915 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | NC1=CC2=C(C(N(C2=O)CC2CC2)=O)C=C1 |
| Synonyms | 5-amino-2-(cyclopropylmethyl)-2,3-dihydro-1H-isoindole-1,3-dione,
307990-26-7,
AC1Q52CS,
SCHEMBL4093992,
UERFHNPWKVKJIU-UHFFFAOYSA-N,
ZINC20244447,
N-cyclopropylmethyl-4-aminophthalimide,
AKOS008113367,
MCULE-2689321069,
N-cyclo-propylmethyl-4-aminophthalimide,
NE18116,
EN300-67339,
Z1263529542,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number