Basic information
- CAS
42438-05-1- Standard SMILES
CCCOc1cccc(NC(=O)OC(C)C[NH+]2CCCC2)c1.[Cl-]- InChIKey
WYKQCOKVGDUHQS-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O3
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.1710204
Names & identifiers
- Preferred name
- Carbamic acid, (3-propoxyphenyl)-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, monohydrochloride
- IUPAC
- 1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(3-propoxyphenyl)carbamate chloride
Names & synonyms
42438-05-1Carbamic acid, (3-propoxyphenyl)-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, monohydrochlorideRefChem:1080829(3-Propoxyphenyl)carbamic acid 1-methyl-2-(1-pyrrolidinyl)ethyl ester hydrochlorideCarbanilic acid, m-propoxy-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, hydrochloride
Database identifiers
- CAS
42438-05-1- PubChem CID
- 39197
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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