Tert-butyl 7-(hydroxymethyl)indoline-1-carboxylate
Basic information
- CAS
1030846-88-8- Standard SMILES
CC(C)(C)OC(=O)N1CCc2cccc(CO)c21- InChIKey
LTOJETILXZZDPG-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- Tert-butyl 7-(hydroxymethyl)indoline-1-carboxylate
- IUPAC
- tert-butyl 7-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
- English name
- tert-Butyl 7-hydroxymethyl-2,3-dihydro-indol-1-carboxylate
- Molecular formula
- C14H19NO3
- Molecular weight
- 249.31
Names & synonyms
1030846-88-8tert-butyl 7-(hydroxymethyl)indoline-1-carboxylatetert-Butyl 7-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylateMFCD13183508tert-butyl 7-hydroxymethyl-2,3-dihydro-indol-1-carboxylatetert-butyl 7-(hydroxymethyl)-2,3-dihydroindole-1-carboxylateSCHEMBL4503093DTXSID60694348LTOJETILXZZDPG-UHFFFAOYSA-NFRB84688AKOS017560429AS-37591
Show more names
2-IODO-N-(PYREN-4-YL)ACETAMIDE1H-Indole-1-carboxylic acid, 2,3-dihydro-7-(hydroxymethyl)-, 1,1-dimethylethyl ester
DB-353090CS-0104757EN300-255696tert-butyl7-(hydroxymethyl)indoline-1-carboxylatet-Butyl 7-hydroxymethyl-2,3-dihydro-indol-1-carboxylateZ1415963048tert-butyl 7-hydroxymethyl-2,3-dihydro-indole-1-carboxylate
Database identifiers
- CAS
1030846-88-8- PubChem CID
- 53397196
- DTXSID
DTXSID60694348
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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