Basic information
- CAS
907969-24-8- Standard SMILES
CC(C)(C)OC(=O)NCCC1CNc2ccccc21- InChIKey
ZEQWYBCGYJDKQN-UHFFFAOYSA-N- Molecular formula
- C15H22N2O2
- Average molar mass
- 262.35 g/mol
- Monoisotopic mass
- 262.16812795
Names & identifiers
- Preferred name
- tert-butyl N-(2-(2,3-dihydro-1H-indol-3-yl)ethyl)carbamate
- IUPAC
- tert-butyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]carbamate
- English name
- [2-(2,3-Dihydro-1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
- Molecular formula
- C15H22N2O2
- Molecular weight
- 262.35
Names & synonyms
907969-24-8tert-butyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]carbamatetert-butyl N-(2-(2,3-dihydro-1H-indol-3-yl)ethyl)carbamateRefChem:895457829-912-4tert-Butyl (2-(indolin-3-yl)ethyl)carbamate[2-(2,3-Dihydro-1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl esterNSC697229CHEMBL1972406SCHEMBL20505740SCHEMBL29572544ZINC01859746
Show more names
AKOS000178774AKOS024262118NSC-697229SB39793NCI60_034677DB-078800CS-0250890tert-Butyl(2-(indolin-3-yl)ethyl)carbamate
Database identifiers
- CAS
907969-24-8- PubChem CID
- 394091
- ChEMBL
CHEMBL1972406- EC Number
- 829-912-4
- Nikkaji
- J3.376.756K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 395.8 · 395.8±21.0 °C(Predicted)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- pka
- 12.71 · 12.71±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海智乾生物科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…