4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
Basic information
- CAS
38198-48-0- Standard SMILES
CCCCOc1ccc(NC(=O)OC2CCC([NH+]3CCCC3)CC2)cc1.[Cl-]- InChIKey
VSUILEGPRURIOX-UHFFFAOYSA-N- Molecular formula
- C21H33ClN2O3
- Average molar mass
- 396.9 g/mol
- Monoisotopic mass
- 396.2179706
Names & identifiers
- Preferred name
- 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
- IUPAC
- (4-pyrrolidin-1-ium-1-ylcyclohexyl) N-(4-butoxyphenyl)carbamate chloride
Names & synonyms
DTXSID009591404-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)RefChem:1070194DTXCID401387029p-Butoxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride38198-48-0(E)-2-(1-Pyrrolidinyl)cyclohexyl p-butoxycarbanilate hydrochlorideCarbanilic acid, p-butoxy-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (E)-
Database identifiers
- CAS
38198-48-0- PubChem CID
- 37964
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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