| CAS Number | 33035-87-9 |
| Catalog Number | AG019MPF(AGN-PC-0NI5TJ) |
| Chemical Name | 3-(Dimethylamino)-1,2-dihydroisoquinolin-1-one |
| IUPAC Name | 3-(dimethylamino)-2H-isoquinolin-1-one |
| InChI | InChI=1S/C11H12N2O/c1-13(2)10-7-8-5-3-4-6-9(8)11(14)12-10/h3-7H,1-2H3,(H,12,14) |
| InChI Key | XMXNFXJQGSVAHW-UHFFFAOYSA-N |
| MDL Number | MFCD11099446 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | CN(C1NC(=O)C2=C(C=CC=C2)C=1)C |
| Synonyms | 3-(dimethylamino)-1,2-dihydroisoquinolin-1-one,
33035-87-9,
3-(dimethylamino)isoquinolin-1(2H)-one,
AC1Q3WHM,
1(2H)-Isoquinolinone, 3-(dimethylamino)-,
CTK6H9552,
ZINC32627101,
AKOS034258057,
MCULE-8890569205,
NE49029,
EN300-36875,
3-(Pyrrolidin-1-Yl)isoquinolin-1(2h)-One,
2GQ,
|
| Complexity | 271 |
| 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 | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number