| CAS Number | 295796-29-1 |
| Catalog Number | AG01BHE1 |
| Chemical Name | 2-(5-nitro-1H-indol-3-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(5-nitro-1H-indol-3-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C10H11N3O2.ClH/c11-4-3-7-6-12-10-2-1-8(13(14)15)5-9(7)10;/h1-2,5-6,12H,3-4,11H2;1H |
| InChI Key | ZJWISDCRTHZYGA-UHFFFAOYSA-N |
| MDL Number | MFCD00227195 |
| Molecular Formula | C10H12ClN3O2 |
| Molecular Weight | 241.6742 |
| SMILES | Cl.NCCC1C2=C(C=CC([N+]([O-])=O)=C2)NC=1 |
| Synonyms | 295796-29-1,
2-(5-NITRO-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE,
2-(5-nitro-1H-indol-3-yl)ethan-1-amine hydrochloride,
AKOS024325392,
MCULE-3761031202,
EN300-195232,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.675g/mol |
| Monoisotopic Mass | 241.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number