Basic information
- CAS
77985-30-9- Standard SMILES
Cc1cccc(Cl)c1OC(=O)NCC[NH+]1CCCC1.[Cl-]- InChIKey
WDEMVOONXMNNLO-UHFFFAOYSA-N- Molecular formula
- C14H20Cl2N2O2
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0901833
Names & identifiers
- Preferred name
- Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride
- IUPAC
- (2-chloro-6-methylphenyl) N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Names & synonyms
C 531277985-30-9N-(2-Pyrrolidinylethyl)carbamic acid, 6-chloro-o-tolyl ester, hydrochlorideCARBAMIC ACID, N-(2-PYRROLIDINYLETHYL)-, 6-CHLORO-o-TOLYL ESTER, HYDROCHLORIDERefChem:332647
Database identifiers
- CAS
77985-30-9- PubChem CID
- 54038
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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