2-(Diethylamino)ethyl (4-butoxyphenyl)phenylcarbamate--hydrogen chloride (1/1)
Basic information
- CAS
100836-81-5- Standard SMILES
CCCCOc1ccc(N(C(=O)OCC[NH+](CC)CC)c2ccccc2)cc1.[Cl-]- InChIKey
TWBHCEJZYMIAGL-UHFFFAOYSA-N- Molecular formula
- C23H33ClN2O3
- Average molar mass
- 421 g/mol
- Monoisotopic mass
- 420.2179706
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl (4-butoxyphenyl)phenylcarbamate--hydrogen chloride (1/1)
- IUPAC
- 2-[(4-butoxyphenyl)-phenylcarbamoyl]oxyethyl-diethylazanium chloride
Names & synonyms
100836-81-5DTXSID309057962-(Diethylamino)ethyl (4-butoxyphenyl)phenylcarbamate--hydrogen chloride (1/1)RefChem:1061613DTXCID501334897p-Butoxy-N-phenyl-carbanilic acid 2-diethylaminoethyl ester hydrochloride2-(Diethylamino)ethyl p-butoxy-N-phenylcarbanilate hydrochlorideCarbanilic acid, p-butoxy-N-phenyl-, 2-diethylaminoethyl ester, monohydrochloride
Database identifiers
- CAS
100836-81-5- PubChem CID
- 58079
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 414
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Compound notes
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