Basic information
- CAS
29440-72-0- Standard SMILES
Cc1cccc(C)c1NC(=O)OC1CN2CCC1CC2- InChIKey
AURWKKVRNIRWKR-UHFFFAOYSA-N- Molecular formula
- C16H22N2O2
- Average molar mass
- 274.36 g/mol
- Monoisotopic mass
- 274.16812795
Names & identifiers
- Preferred name
- Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl N-(2,6-dimethylphenyl)carbamate
Names & synonyms
2,6-Dimethylcarbanilic acid 3-quinuclidinyl ester3-Quinuclidinyl 2,6-dimethylcarbanilateBRN 148405529440-72-0CARBANILIC ACID, 2,6-DIMETHYL-, 3-QUINUCLIDINYL ESTERRefChem:332931DTXSID409519611-Azabicyclo[2.2.2]octan-3-yl hydrogen (2,6-dimethylphenyl)carbonimidate
Database identifiers
- CAS
29440-72-0- PubChem CID
- 34585
- DTXSID
DTXSID40951961
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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