| CAS Number | 339282-64-3 |
| Catalog Number | AG00D4S4(AGN-PC-0R9ENA) |
| Chemical Name | 3-(BOC-AMINOMETHYL)-5-BROMO-1H-INDOLE |
| IUPAC Name | tert-butyl N-[(5-bromo-1H-indol-3-yl)methyl]carbamate |
| InChI | InChI=1S/C14H17BrN2O2/c1-14(2,3)19-13(18)17-8-9-7-16-12-5-4-10(15)6-11(9)12/h4-7,16H,8H2,1-3H3,(H,17,18) |
| InChI Key | JRVZFCXXHJFFNB-UHFFFAOYSA-N |
| MDL Number | MFCD29035107 |
| Molecular Formula | C14H17BrN2O2 |
| Molecular Weight | 325.2010 |
| SMILES | O=C(OC(C)(C)C)NCc1c[nH]c2c1cc(Br)cc2 |
| Synonyms | 339282-64-3,
3-(Boc-aminomethyl)-5-bromo-1H-indole,
tert-Butyl ((5-bromo-1H-indol-3-yl)methyl)carbamate,
tert-Butyl [(5-bromo-1H-indol-3-yl)methyl]carbamate,
SCHEMBL7319151,
DTXSID10701738,
MFCD29035107,
ZINC149849514,
DA-42725,
FT-0764358,
TERT-BUTYL (5-BROMO-1H-INDOL-3-YL)METHYLCARBAMATE,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.206g/mol |
| Monoisotopic Mass | 324.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number