Basic information
- CAS
91481-26-4- Standard SMILES
COc1cc(-c2[nH]c(C)c(C(C)=O)c2[NH3+])ccc1O.[Cl-]- InChIKey
FMLGNOWNHGNDLF-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O3
- Average molar mass
- 296.75 g/mol
- Monoisotopic mass
- 296.0927701
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)-, hydrochloride (1:1)
- IUPAC
- [4-acetyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1H-pyrrol-3-yl]azanium chloride
Names & synonyms
91481-26-4RefChem:1084534Ethanone, 1-(4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)-, hydrochloride (1:1)Ethanone, 1-(4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)-, monohydrochlorideKetone, (4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methylpyrrol-3-yl) methyl, hydrochloride
Database identifiers
- CAS
91481-26-4- PubChem CID
- 56252
Properties
Computed structural properties
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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