| CAS Number | 1177357-90-2 |
| Catalog Number | AG00HE87(AGN-PC-0WNMTP) |
| Chemical Name | 2-(4-Fluoro-2,7-dimethyl-1h-indol-3-yl)ethanamine oxalate |
| IUPAC Name | 2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethanamine;oxalic acid |
| InChI | InChI=1S/C12H15FN2.C2H2O4/c1-7-3-4-10(13)11-9(5-6-14)8(2)15-12(7)11;3-1(4)2(5)6/h3-4,15H,5-6,14H2,1-2H3;(H,3,4)(H,5,6) |
| InChI Key | KPKDQCYTCZVPOP-UHFFFAOYSA-N |
| MDL Number | MFCD09832397 |
| Molecular Formula | C14H17FN2O4 |
| Molecular Weight | 296.2942 |
| SMILES | OC(=O)C(=O)O.NCCc1c(C)[nH]c2c1c(F)ccc2C |
| Synonyms | 2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethanamine oxalate,
1177357-90-2,
C12H15FN2.C2H2O4,
TRY-0041,
ZX-BK000189,
MFCD09832397,
AKOS005144556,
H9016,
Y2154,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.298g/mol |
| Monoisotopic Mass | 296.117g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number