2-Methyl-3-(morpholin-4-yl)-1-(thiophen-2-yl)propyl phenyl carbonate--hydrogen chloride (1/1)
Basic information
- CAS
101912-00-9- Standard SMILES
CC(C[NH+]1CCOCC1)C(OC(=O)Oc1ccccc1)c1cccs1.[Cl-]- InChIKey
UNDZTOBENXRDJU-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO4S
- Average molar mass
- 397.9 g/mol
- Monoisotopic mass
- 397.1114571
Names & identifiers
- Preferred name
- 2-Methyl-3-(morpholin-4-yl)-1-(thiophen-2-yl)propyl phenyl carbonate--hydrogen chloride (1/1)
- IUPAC
- (2-methyl-3-morpholin-4-ium-4-yl-1-thiophen-2-ylpropyl) phenyl carbonate chloride
Names & synonyms
101912-00-9DTXSID709068032-Methyl-3-(morpholin-4-yl)-1-(thiophen-2-yl)propyl phenyl carbonate--hydrogen chloride (1/1)RefChem:1063707DTXCID601335898Carbonic acid, (alpha-(1-(morpholinomethyl)ethyl)-2-thenyl) phenyl ester, hydrochloride(alpha-(1-(Morpholinomethyl)ethyl)-2-thenyl) phenyl carbonate hydrochloride
Database identifiers
- CAS
101912-00-9- PubChem CID
- 59078
Properties
Computed structural properties
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 410
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Compound notes
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