Basic information
- CAS
42438-09-5- Standard SMILES
CCCCOc1ccc(NC(=O)OC(C)C[NH+]2CCCC2)cc1.[Cl-]- InChIKey
FQOAUGFYPIOGIY-UHFFFAOYSA-N- Molecular formula
- C18H29ClN2O3
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.1866705
Names & identifiers
- Preferred name
- Carbamic acid, (4-butoxyphenyl)-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, monohydrochloride
- IUPAC
- 1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(4-butoxyphenyl)carbamate chloride
Names & synonyms
42438-09-5Carbamic acid, (4-butoxyphenyl)-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, monohydrochlorideRefChem:1080838(4-Butoxyphenyl)carbamic acid 1-methyl-2-(1-pyrrolidinyl)ethyl ester hydrochlorideCarbanilic acid, p-butoxy-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, hydrochloride
Database identifiers
- CAS
42438-09-5- PubChem CID
- 39201
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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