Carbamic acid, (3-(hexyloxy)phenyl)-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, monohydrochloride
Basic information
- CAS
41017-73-6- Standard SMILES
CCCCCCOc1cccc(NC(=O)OC(C)C[NH+]2CCCC2)c1.[Cl-]- InChIKey
XFNXCTVHZNSRNM-UHFFFAOYSA-N- Molecular formula
- C20H33ClN2O3
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.2179706
Names & identifiers
- Preferred name
- Carbamic acid, (3-(hexyloxy)phenyl)-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, monohydrochloride
- IUPAC
- 1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride
Names & synonyms
41017-73-6(3-(Hexyloxy)phenyl)carbamic acid 1-methyl-2-(1-pyrrolidinyl)ethyl ester hydrochlorideCarbamic acid, (3-(hexyloxy)phenyl)-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, monohydrochlorideCarbanilic acid, m-hexyloxy-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, hydrochlorideRefChem:332012
Database identifiers
- CAS
41017-73-6- PubChem CID
- 38740
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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