Basic information
- CAS
77985-31-0- Standard SMILES
Cc1cc(C)c(OC(=O)NCC[NH+]2CCCC2)c(C)c1.[Cl-]- InChIKey
AVUYLWAJJZJFLZ-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2O2
- Average molar mass
- 312.83 g/mol
- Monoisotopic mass
- 312.1604557
Names & identifiers
- Preferred name
- Carbamic acid, N-(2-pyrrolidinylethyl)-, mesityl ester, hydrochloride
- IUPAC
- (2,4,6-trimethylphenyl) N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Names & synonyms
C 531977985-31-0N-(2-Pyrrolidinylethyl)carbamic acid, mesityl ester, hydrochlorideCARBAMIC ACID, N-(2-PYRROLIDINYLETHYL)-, MESITYL ESTER, HYDROCHLORIDERefChem:332648
Database identifiers
- CAS
77985-31-0- PubChem CID
- 54040
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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