Basic information
- CAS
100311-42-0- Standard SMILES
Cc1cccc(C)c1C(=O)OCCN1CCCC1- InChIKey
PPNRGAWIOVQCBT-UHFFFAOYSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.15722891
Names & identifiers
- Preferred name
- Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester
- IUPAC
- 2-pyrrolidin-1-ylethyl 2,6-dimethylbenzoate
Names & synonyms
HG-1224BRN 1645508BENZOIC ACID, 2,6-DIMETHYL-, 2-(1-PYRROLIDINYL)ETHYL ESTER2,6-Dimethylbenzoic acid 2-(1-pyrrolidinyl)ethyl esterDTXSID90143157RefChem:326573DTXCID0065648100311-42-02-(pyrrolidin-1-yl)ethyl 2,6-dimethylbenzoate
Database identifiers
- CAS
100311-42-0- PubChem CID
- 57773
- DTXSID
DTXSID90143157- Nikkaji
- J83.376B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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