| CAS Number | 951322-11-5 |
| Catalog Number | AG003AVK(AGN-PC-0WP1XQ) |
| Chemical Name | 1H-Indole-3-ethanamine, 6-bromo-2-(1,1-dimethyl-2-propen-1-yl)-N-methyl-, hydrochloride (1:1) |
| IUPAC Name | 2-[6-bromo-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-N-methylethanamine;hydrochloride |
| InChI | InChI=1S/C16H21BrN2.ClH/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15;/h5-7,10,18-19H,1,8-9H2,2-4H3;1H |
| InChI Key | GEZWEAPBLKXKGN-UHFFFAOYSA-N |
| MDL Number | MFCD18086865 |
| Molecular Formula | C16H22BrClN2 |
| Molecular Weight | 357.7163 |
| SMILES | Cl.BrC1=CC=C2C(=C(NC2=C1)C(C=C)(C)C)CCNC |
| Synonyms | Desformylflustrabromine Hydrochloride,
951322-11-5,
CHEMBL1835612,
474657-72-2,
Desformylflustrabromine HCl,
AKOS024457556,
HY-107675,
B7367,
CS-0029160,
Desformylflustrabromine hydrochloride_x000D_,
A17103,
Deformylflustrabromine hydrochloride, >=98% (HPLC),
2-(6-bromo-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl)-N-methylethan-1-amine hydrochloride,
6-Bromo-2-(1,1-dimethyl-2-propenyl)-N-1H-indole-3-ethanamine hydrochloride,
1H-Indole-3-ethanamine, 6-bromo-2-(1,1-dimethyl-2-propen-1-yl)-N-methyl-, hydrochloride (1:1),
GEZWEAPBLKXKGN-UHFFFAOYSA-N,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.72g/mol |
| Monoisotopic Mass | 356.065g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 27.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number