| CAS Number | 852391-39-0 |
| Catalog Number | AG00IDLK(AGN-PC-04TMXR) |
| Chemical Name | 7-Bromogramine |
| IUPAC Name | 1-(7-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine |
| InChI | InChI=1S/C11H13BrN2/c1-14(2)7-8-6-13-11-9(8)4-3-5-10(11)12/h3-6,13H,7H2,1-2H3 |
| InChI Key | OPJHXIKHFCNNRW-UHFFFAOYSA-N |
| MDL Number | MFCD11048399 |
| Molecular Formula | C11H13BrN2 |
| Molecular Weight | 253.1383 |
| SMILES | CN(Cc1c[nH]c2c1cccc2Br)C |
| Synonyms | 7-Bromogramine,
852391-39-0,
SCHEMBL838779,
ZINC35635669,
FCH1402099,
(7-bromo-1h-indol-3-ylmethyl)dimethylamine,
1H-Indole-3-methanamine, 7-bromo-N,N-dimethyl-,
1-(7-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.143g/mol |
| Monoisotopic Mass | 252.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 19A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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