N-Boc-6-bromo-1H-indole-3-ethanamine - CAS 209168-88-7
Catalog: |
BB016419 |
Product Name: |
N-Boc-6-bromo-1H-indole-3-ethanamine |
CAS: |
209168-88-7 |
Synonyms: |
N-[2-(6-bromo-1H-indol-3-yl)ethyl]carbamic acid tert-butyl ester; tert-butyl N-[2-(6-bromo-1H-indol-3-yl)ethyl]carbamate |
IUPAC Name: | tert-butyl N-[2-(6-bromo-1H-indol-3-yl)ethyl]carbamate |
Description: | N-Boc-6-bromo-1H-indole-3-ethanamine (CAS# 209168-88-7 ) is a useful research chemical. |
Molecular Weight: | 339.23 |
Molecular Formula: | C15H19BrN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCC1=CNC2=C1C=CC(=C2)Br |
InChI: | InChI=1S/C15H19BrN2O2/c1-15(2,3)20-14(19)17-7-6-10-9-18-13-8-11(16)4-5-12(10)13/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19) |
InChI Key: | GJXCKDDRSRRFEZ-UHFFFAOYSA-N |
LogP: | 4.38850 |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 338.06299 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 338.06299 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 54.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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