1-Boc-6-cyanoindole
Completing data — refresh the page later to see the latest
Basic information
- CAS
889676-34-0- Standard SMILES
CC(C)(C)OC(=O)n1ccc2ccc(C#N)cc21- InChIKey
DCIWEPSVBLICSS-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- 1-Boc-6-cyanoindole
- IUPAC
- tert-butyl 6-cyanoindole-1-carboxylate
- English name
- 6-CYANO-1H-INDOLE, N-BOC PROTECTED 98
- Molecular formula
- C14H14N2O2
- Molecular weight
- 242.27
Names & synonyms
1-Boc-6-cyanoindole889676-34-0tert-butyl 6-cyano-1H-indole-1-carboxylatetert-butyl 6-cyanoindole-1-carboxylateMFCD084360206-Cyano-1H-indole, N-BOC protectedSCHEMBL3008246SCHEMBL30524309DTXSID50649564tert-butyl 6-cyanoindolecarboxylateSBB066692AKOS015837014
Show more names
N-BOC-6-CYANO-1H-INDOLE6-CYANO-1H-INDOLE, N-BOC PROTECTED 986-Cyano-1H-indole, N-BOC protected 98%6-cyano-1-indolecarboxylic acid tert-butyl ester6-Cyano-indole-1-carboxylic acid tert-butyl ester1H-Indole-1-carboxylic acid, 6-cyano-, 1,1-dimethylethyl ester
AS-43905DB-078261F2427862-Methyl-2-propanyl 6-cyano-1H-indole-1-carboxylate
Database identifiers
- CAS
889676-34-0- PubChem CID
- 25307159
- DTXSID
DTXSID50649564- Nikkaji
- J2.837.567K
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 124 · 124-126
- Boiling point
- 386.4 · 386.4±34.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P310
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…