Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate
Basic information
- CAS
6976-19-8- Standard SMILES
CCOC(=O)C(Cc1cn(C)c2ccccc12)(NC(C)=O)C(=O)OCC- InChIKey
IJIOJNJNMFIAFL-UHFFFAOYSA-N- Molecular formula
- C19H24N2O5
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.16852187
Names & identifiers
- Preferred name
- Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate
- IUPAC
- diethyl 2-acetamido-2-[(1-methylindol-3-yl)methyl]propanedioate
Names & synonyms
DIETHYL 2-ACETAMIDO-2-(1-METHYLINDOL-3-YLMETHYL)MALONATERefChem:587107661-349-86976-19-8NSC24950DTXSID60989923NSC-24950AKOS024325239N-{1,3-Diethoxy-2-[(1-methyl-1H-indol-3-yl)methyl]-1,3-dioxopropan-2-yl}ethanimidic acid
Database identifiers
- CAS
6976-19-8- PubChem CID
- 230288
- DTXSID
DTXSID60989923- EC Number
- 661-349-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Compound notes
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