2-Indolecarboxylic acid, 5-acetyl-3-((dimethylamino)methyl)-, ethyl ester, hydrochloride
Basic information
- CAS
3286-24-6- Standard SMILES
CCOC(=O)c1[nH]c2ccc(C(C)=O)cc2c1C[NH+](C)C.[Cl-]- InChIKey
MTQFTTPHOPBPEV-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O3
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1240702
Names & identifiers
- Preferred name
- 2-Indolecarboxylic acid, 5-acetyl-3-((dimethylamino)methyl)-, ethyl ester, hydrochloride
- IUPAC
- (5-acetyl-2-ethoxycarbonyl-1H-indol-3-yl)methyl-dimethylazanium chloride
Names & synonyms
5-Acetyl-2-carbethoxygramine hydrochlorideEthyl 5-acetyl-3-((dimethylamino)methyl)-2-indolecarboxylate hydrochloride2-Indolecarboxylic acid, 5-acetyl-3-((dimethylamino)methyl)-, ethyl ester, hydrochloride3286-24-6RefChem:262059(5-acetyl-2-ethoxycarbonyl-1H-indol-3-yl)methyl-dimethylazanium chloride
Database identifiers
- CAS
3286-24-6- PubChem CID
- 18676
Properties
Computed structural properties
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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