Carbamic acid, (2-pyrrolidinylethyl)-, p-methylbenzyl ester, monohydrochloride
Basic information
- CAS
100836-76-8- Standard SMILES
Cc1ccc(COC(=O)NCC[NH+]2CCCC2)cc1.[Cl-]- InChIKey
AGRDRJFMKALPCI-UHFFFAOYSA-N- Molecular formula
- C15H23ClN2O2
- Average molar mass
- 298.81 g/mol
- Monoisotopic mass
- 298.1448057
Names & identifiers
- Preferred name
- Carbamic acid, (2-pyrrolidinylethyl)-, p-methylbenzyl ester, monohydrochloride
- IUPAC
- (4-methylphenyl)methyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Names & synonyms
p-Methylbenzyl N-(2-pyrrolidinylethyl)carbamate hydrochlorideCARBAMIC ACID, (2-PYRROLIDINYLETHYL)-, p-METHYLBENZYL ESTER, MONOHYDROCHLORIDE100836-76-8RefChem:331981
Database identifiers
- CAS
100836-76-8- PubChem CID
- 58072
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 269
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Compound notes
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