1H-Pyrrole-3-carboxylicacid, 5-(1,1-dimethylethyl)-2-methyl-1-[3-(4-morpholinyl)propyl]-
Basic information
- CAS
306936-17-4- Standard SMILES
Cc1c(C(=O)O)cc(C(C)(C)C)n1CCCN1CCOCC1- InChIKey
CZNIFSBECUXHHB-UHFFFAOYSA-N- Molecular formula
- C17H28N2O3
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.20999276
Names & identifiers
- Preferred name
- 1H-Pyrrole-3-carboxylicacid, 5-(1,1-dimethylethyl)-2-methyl-1-[3-(4-morpholinyl)propyl]-
- IUPAC
- 5-tert-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylic acid
- English name
- 5-(tert-butyl)-2-methyl-1-(3-morpholinopropyl)-1H-pyrrole-3-carboxylic acid
- Molecular formula
- C17H28N2O3
- Molecular weight
- 308.42
Names & synonyms
306936-17-45-(tert-butyl)-2-methyl-1-(3-morpholinopropyl)-1H-pyrrole-3-carboxylic acid1H-Pyrrole-3-carboxylic acid, 5-(1,1-dimethylethyl)-2-methyl-1-[3-(4-morpholinyl)propyl]-1H-Pyrrole-3-carboxylicacid, 5-(1,1-dimethylethyl)-2-methyl-1-[3-(4-morpholinyl)propyl]-Oprea1_334595SCHEMBL14028425DTXSID603708775-tert-Butyl-2-methyl-1-[3-(morpholin-4-yl)propyl]-1H-pyrrole-3-carboxylic acid5-tert-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylic acid
Database identifiers
- CAS
306936-17-4- PubChem CID
- 2735680
- DTXSID
DTXSID60370877
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 460.6 · 460.6±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 5.96 · 5.96±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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