1-Boc-indole

C₁₃H₁₅NO₂CAS 75400-67-8217.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₅NO₂
Molar mass: 217.27 g/mol
Exact mass: 217.1103 Da
logP: 3.42Crippen estimate
Polar surface area: 31.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

75400-67-8

SMILES

CC(C)(C)OC(=O)N1C=CC2=CC=CC=C21

InChIKey

OWPIFQXNMLDXKW-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-9H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1-(tert-Butoxycarbonyl)indole

Work with 1-Boc-indole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Dimethylethyl 5-amino-1H-indole-1-carboxylate166104-20-764 % similar 1-Boc-6-aminoindole219508-62-064 % similar N-Boc-5-hydroxyindole434958-85-764 % similar 1-(1H-Indol-1-yl)ethanone576-15-853 % similar 1-(tert-Butoxycarbonyl)indole-2-boronic Acid (contains varying amounts of Anhydride)213318-44-651 % similar N-Boc-2-pyrroleboronic acid135884-31-050 % similar N-T-Boc-pyrrole5176-27-249 % similar 1-[(1,1-Dimethylethoxy)carbonyl]-L-tryptophan146645-63-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 4-(4-cyanophenyl)butanoate131379-33-4 N-Benzoyl-4-perhydroazepinone15923-40-7 7-Ethylamino-4,6-dimethylcoumarin26078-25-1 (-)-Securinine5610-40-2 8-Hydroxyjulolidine-9-carboxaldehyde63149-33-7 Benzyl 5,6-dihydropyridine-1(2H)-carboxylate66207-23-6 Ethyl α-cyano-α-ethylbenzeneacetate718-71-8 4-(4-Oxocyclohexyl)benzamide73204-06-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook