Basic information
- CAS
42508-17-8- Standard SMILES
CCCCOc1ccc(NC(=O)OC(C)C[NH+](CC)CC)cc1.[Cl-]- InChIKey
VFMHQHMQKZPLSI-UHFFFAOYSA-N- Molecular formula
- C18H31ClN2O3
- Average molar mass
- 358.9 g/mol
- Monoisotopic mass
- 358.2023205
Names & identifiers
- Preferred name
- 1-(Diethylamino)propan-2-yl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
- IUPAC
- 2-[(4-butoxyphenyl)carbamoyloxy]propyl-diethylazanium chloride
Names & synonyms
42508-17-8DTXSID709625401-(Diethylamino)propan-2-yl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)RefChem:1054658DTXCID001390341(4-Butoxyphenyl)carbamic acid 2-(diethylamino)-1-methylethyl ester hydrochlorideCarbanilic acid, p-butoxy-, 2-(diethylamino)-1-methylethyl ester, hydrochlorideCarbamic acid, (4-butoxyphenyl)-, 2-(diethylamino)-1-methylethyl ester, monohydrochloride
Database identifiers
- CAS
42508-17-8- PubChem CID
- 39221
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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