Basic information
- CAS
19716-84-8- Standard SMILES
CC(=O)[O-].CCCCCCC(=O)Oc1ccc2[nH]cc(CC[NH3+])c2c1- InChIKey
NUHALFUVDYUUKA-UHFFFAOYSA-N- Molecular formula
- C19H28N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.20490738
Names & identifiers
- Preferred name
- Heptanoic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate
- IUPAC
- 2-(5-heptanoyloxy-1H-indol-3-yl)ethylazanium acetate
Names & synonyms
19716-84-8HEPTANOIC ACID, 3-(2-AMINOETHYL)INDOL-5-YL ESTER, MONOACETATE3-(2-Aminoethyl)indol-5-yl ester of heptanoic acid acetateDTXSID60173380RefChem:347260DTXCID60958712-[5-(Heptanoyloxy)-1H-indol-3-yl]ethan-1-aminium acetate
Database identifiers
- CAS
19716-84-8- PubChem CID
- 29752
- DTXSID
DTXSID60173380
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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