3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol Oxalate

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Basic information

CAS: 1035456-54-2
Standard SMILES: CNCCC(O)c1cccs1.O=C(O)C(=O)O
InChIKey: VMAGTTSBAPAUSK-UHFFFAOYSA-N
Molecular formula: C10H15NO5S
Average molar mass: 261.3 g/mol
Monoisotopic mass: 261.06709375

Names & identifiers

Preferred name: 3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol Oxalate
IUPAC: 3-(methylamino)-1-thiophen-2-ylpropan-1-ol;oxalic acid
English name: 3-(MethylaMino)-1-(thiophen-2-yl)propan-1-ol Oxalate
Molecular formula: C10H15NO5S
Molecular weight: 261.2948

Names & synonyms

3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol Oxalate1035456-54-23-(methylamino)-1-thiophen-2-ylpropan-1-ol;oxalic acid3-(METHYLAMINO)-1-(THIOPHEN-2-YL)PROPAN-1-OL; OXALIC ACIDDTXSID50858013DB-2618133-(Methylamino)-1-(thiophen-2-yl)propan-1-olOxalateOxalic acid--3-(methylamino)-1-(thiophen-2-yl)propan-1-ol (1/1)α-[2-(MethylaMino)ethyl]-2-thiopheneMethanol Ethanedioatealpha-[2-(Methylamino)ethyl]-2-thiophenemethanol ethanedioate

Database identifiers

CAS: 1035456-54-2
PubChem CID: 71750189
DTXSID: DTXSID50858013

Properties

Computed structural properties

Topological polar surface area: 135 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 182

Chemistry & industry

Applications

UsesAn impurity of Duloxetine (D721000).

Related reactions

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Compound notes

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