Basic information
- CAS
31991-03-4- Standard SMILES
Cc1cccc(C)c1NC(=O)OC1CC[NH+](C(C)(C)C)C1.[Cl-]- InChIKey
JUFUNKWZCPPHFF-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O2
- Average molar mass
- 326.9 g/mol
- Monoisotopic mass
- 326.1761058
Names & identifiers
- Preferred name
- Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride
- IUPAC
- (1-tert-butylpyrrolidin-1-ium-3-yl) N-(2,6-dimethylphenyl)carbamate chloride
Names & synonyms
31991-03-4CARBANILIC ACID, 2,6-DIMETHYL-, N-tert-BUTYL-3-PYRROLIDINYL ESTER, HYDROCHLORIDERefChem:1081057N-tert-Butyl-3-pyrrolidyl 2,6-dimethylphenylcarbamate hydrochloride2,6-Dimethylcarbanilic acid, N-tert-butyl-3-pyrrolidinyl ester hydrochlorideN-tert-Butyl-3-pyrrolidinyl 2,6-dimethylcarbanilate hydrochloride
Database identifiers
- CAS
31991-03-4- PubChem CID
- 36029
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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