| CAS Number | 1228552-16-6 |
| Catalog Number | AG00HH1W(AGN-PC-0WC73K) |
| Chemical Name | tert-butyl [2-(5-chloro-1H-indol-3-yl)ethyl]carbamate |
| IUPAC Name | tert-butyl N-[2-(5-chloro-1H-indol-3-yl)ethyl]carbamate |
| InChI | InChI=1S/C15H19ClN2O2/c1-15(2,3)20-14(19)17-7-6-10-9-18-13-5-4-11(16)8-12(10)13/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19) |
| InChI Key | ZVGMIZAWOKOIFG-UHFFFAOYSA-N |
| MDL Number | MFCD16618416 |
| Molecular Formula | C15H19ClN2O2 |
| Molecular Weight | 294.7766 |
| SMILES | O=C(OC(C)(C)C)NCCc1c[nH]c2c1cc(Cl)cc2 |
| Synonyms | 1228552-16-6,
tert-butyl [2-(5-chloro-1H-indol-3-yl)ethyl]carbamate,
tert-Butyl (2-(5-chloro-1H-indol-3-yl)ethyl)carbamate,
tert-Butyl [2-(5-chloro-1H-indol-3-yl)ethyl]-carbamate,
TERT-BUTYL 2-(5-CHLORO-1H-INDOL-3-YL)ETHYLCARBAMATE,
ALBB-014072,
MFCD16618416,
ZINC49478741,
AKOS005174454,
T4006,
tert-butyl N-[2-(5-chloro-1H-indol-3-yl)ethyl]carbamate,
[2-(5-chloro-1h-indol-3-yl)ethyl]carbamic acid tert-butyl ester,
carbamic acid, [2-(5-chloro-1H-indol-3-yl)ethyl]-, 1,1-dimethylethyl ester,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.779g/mol |
| Monoisotopic Mass | 294.114g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number