Carbamic acid, (2-pyrrolidinylethyl)-, 2,5-dimethylbenzyl ester, monohydrochloride
Basic information
- CAS
100836-74-6- Standard SMILES
Cc1ccc(C)c(COC(=O)NCC[NH+]2CCCC2)c1.[Cl-]- InChIKey
LPGWDMVGSBPQAP-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2O2
- Average molar mass
- 312.83 g/mol
- Monoisotopic mass
- 312.1604557
Names & identifiers
- Preferred name
- Carbamic acid, (2-pyrrolidinylethyl)-, 2,5-dimethylbenzyl ester, monohydrochloride
- IUPAC
- (2,5-dimethylphenyl)methyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Names & synonyms
100836-74-62,5-Dimethylbenzyl N-(2-pyrrolidinylethyl)carbamate hydrochlorideCarbamic acid, (2-pyrrolidinylethyl)-, 2,5-dimethylbenzyl ester, monohydrochlorideRefChem:331976
Database identifiers
- CAS
100836-74-6- PubChem CID
- 58068
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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