Carbamic acid, (2-pyrrolidinylethyl)-, o-chlorobenzyl ester, monohydrochloride
Basic information
- CAS
100836-72-4- Standard SMILES
O=C(NCC[NH+]1CCCC1)OCc1ccccc1Cl.[Cl-]- InChIKey
KPIHVOXCCRMPFL-UHFFFAOYSA-N- Molecular formula
- C14H20Cl2N2O2
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0901833
Names & identifiers
- Preferred name
- Carbamic acid, (2-pyrrolidinylethyl)-, o-chlorobenzyl ester, monohydrochloride
- IUPAC
- (2-chlorophenyl)methyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Names & synonyms
o-Chlorobenzyl N-(2-pyrrolidinylethyl)carbamate hydrochlorideCARBAMIC ACID, (2-PYRROLIDINYLETHYL)-, o-CHLOROBENZYL ESTER, MONOHYDROCHLORIDE100836-72-4RefChem:331980
Database identifiers
- CAS
100836-72-4- PubChem CID
- 58064
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
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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