| CAS Number | 64258-88-4 |
| Catalog Number | AG00ECSS(AGN-PC-0NF4BM) |
| Chemical Name | 4-Bromogramine |
| IUPAC Name | 1-(4-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine |
| InChI | InChI=1S/C11H13BrN2/c1-14(2)7-8-6-13-10-5-3-4-9(12)11(8)10/h3-6,13H,7H2,1-2H3 |
| InChI Key | WJLZJGWWMSKGKY-UHFFFAOYSA-N |
| MDL Number | MFCD16660947 |
| Molecular Formula | C11H13BrN2 |
| Molecular Weight | 253.1383 |
| SMILES | CN(Cc1c[nH]c2c1c(Br)ccc2)C |
| Synonyms | 4-Bromogramine,
64258-88-4,
Q-102650,
3-dimethylaminomethyl-4-bromoindole,
ZINC35635650,
AKOS024115360,
CB-1173,
FCH1402093,
1-(4-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine,
CID11054162,
1-(4-bromo-1H-indol-3-yl)-N,N-dimethyl-methanamine,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number