tert-Butyl 5-(hydroxymethyl)indoline-1-carboxylate
Basic information
- CAS
350683-41-9- Standard SMILES
CC(C)(C)OC(=O)N1CCc2cc(CO)ccc21- InChIKey
DLWRRDJYEAGSTP-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- tert-Butyl 5-(hydroxymethyl)indoline-1-carboxylate
- IUPAC
- tert-butyl 5-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
- English name
- tert-butyl 5-(hydroxymethyl)indoline-1-carboxylate
- Molecular formula
- C14H19NO3
- Molecular weight
- 249.31
Names & synonyms
tert-Butyl 5-(hydroxymethyl)indoline-1-carboxylate350683-41-9SCHEMBL14666331-Boc-5-(hydroxymethyl)indolineDLWRRDJYEAGSTP-UHFFFAOYSA-NMFCD13183533SY280987DB-145477CS-03784871-(tert-Butoxycarbonyl)-5-hydroxymethylindolineC91681F761327
Show more names
1H-Indole-1-carboxylic acid, 2,3-dihydro-5-(hydroxymethyl)-, 1,1-dimethylethyl ester
tert-Butyl5-(hydroxymethyl)indoline-1-carboxylatetert-butyl 5-(hydroxymethyl)-2,3-dihydro-1H-indol-1-carboxyate
Database identifiers
- CAS
350683-41-9- PubChem CID
- 10753138
- EC Number
- 169-893-3
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
- Boiling point
- 389.3 · 389.3±31.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 14.39 · 14.39±0.10(Predicted)
- Appearance
- White to off-white Solid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…