Basic information
- CAS
42438-19-7- Standard SMILES
CCCCCCOc1ccc(NC(=O)OC(C)C[NH+]2CCCCC2)cc1.[Cl-]- InChIKey
NXHJROSMBUIPEM-UHFFFAOYSA-N- Molecular formula
- C21H35ClN2O3
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2336207
Names & identifiers
- Preferred name
- Carbamic acid, (4-(hexyloxy)phenyl)-, 1-methyl-2-(1-piperidinyl)ethyl ester, monohydrochloride
- IUPAC
- 1-piperidin-1-ium-1-ylpropan-2-yl N-(4-hexoxyphenyl)carbamate chloride
Names & synonyms
42438-19-7(4-(Hexyloxy)phenyl)carbamic acid 1-methyl-2-(1-piperidinyl)ethyl ester hydrochlorideCarbamic acid, (4-(hexyloxy)phenyl)-, 1-methyl-2-(1-piperidinyl)ethyl ester, monohydrochlorideCarbanilic acid, p-hexyloxy-, 1-methyl-2-(1-piperidinyl)ethyl ester, hydrochlorideRefChem:332100
Database identifiers
- CAS
42438-19-7- PubChem CID
- 39209
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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