| CAS Number | 1206641-25-9 |
| Catalog Number | AG01DRO9(AGN-PC-0H74KS) |
| Chemical Name | 5-amino-2-cyclopropyl-3H-isoindol-1-one |
| IUPAC Name | 5-amino-2-cyclopropyl-3H-isoindol-1-one |
| InChI | InChI=1S/C11H12N2O/c12-8-1-4-10-7(5-8)6-13(11(10)14)9-2-3-9/h1,4-5,9H,2-3,6,12H2 |
| InChI Key | YENOCAGUJVJYOJ-UHFFFAOYSA-N |
| MDL Number | MFCD20727310 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | NC1=CC2=C(C(N(C3CC3)C2)=O)C=C1 |
| Synonyms | 5-amino-2-cyclopropylisoindolin-1-one,
1206641-25-9,
SCHEMBL1163267,
YENOCAGUJVJYOJ-UHFFFAOYSA-N,
ZX-RL006567,
ZINC97455131,
AKOS026671545,
FCH1310025,
KS-8261,
DA-14437,
OR306533,
FT-0761973,
1H-Isoindol-1-one, 5-amino-2-cyclopropyl-2,3-dihydro-,
1H-Isoindol-1-one,5-amino-2-cyclopropyl-2,3-dihydro-,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number