Basic information
- CAS
1781907-25-2- Standard SMILES
CC(C)(C)OC(=O)N1CCc2c(C(=O)O)ccnc21- InChIKey
VQAWROGBOVCGOM-UHFFFAOYSA-N- Molecular formula
- C13H16N2O4
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.111007
Names & identifiers
- Preferred name
- 1-((tert-butoxy)carbonyl)-1H,2H,3H-pyrrolo(2,3-b)pyridine-4-carboxylic acid
- IUPAC
- 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-4-carboxylic acid
Names & synonyms
1781907-25-21-[(tert-butoxy)carbonyl]-1H,2H,3H-pyrrolo[2,3-b]pyridine-4-carboxylic acid1-((tert-butoxy)carbonyl)-1H,2H,3H-pyrrolo(2,3-b)pyridine-4-carboxylic acidRefChem:418937839-616-71-(tert-Butoxycarbonyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-4-carboxylic acidGWC90725AKOS023797542CS-0137585EN300-706131Z2901973350
Show more names
1-tert-butoxycarbonyl-2,3-dihydropyrrolo[2,3-b]pyridine-4-carboxylic acid1-[(tert-butoxy)carbonyl]-1H,2H,3H-pyrrolo[2,3-b]pyridine-4-carboxylicacid
Database identifiers
- CAS
1781907-25-2- PubChem CID
- 84038457
- EC Number
- 839-616-7
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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