Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride
Basic information
- CAS
100836-77-9- Standard SMILES
O=C(NCC[NH+]1CCCC1)OCCCc1ccccc1.[Cl-]- InChIKey
UQJYAHYLAYAGJS-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2O2
- Average molar mass
- 312.83 g/mol
- Monoisotopic mass
- 312.1604557
Names & identifiers
- Preferred name
- Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride
- IUPAC
- 3-phenylpropyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Names & synonyms
3-Phenylpropyl N-(2-pyrrolidinylethyl)carbamate hydrochloride100836-77-9CARBAMIC ACID, (2-PYRROLIDINYLETHYL)-, 3-PHENYLPROPYL ESTER, MONOHYDROCHLORIDERefChem:331978
Database identifiers
- CAS
100836-77-9- PubChem CID
- 58074
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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