2-(((5-((Dimethylamino)methyl)furan-2-yl)methyl)thio)ethanamine oxalate
Basic information
- CAS
97467-74-8- Standard SMILES
CN(C)Cc1ccc(CSCCN)o1.O=C(O)C(=O)O- InChIKey
WRLHGMJMXYLANM-UHFFFAOYSA-N- Molecular formula
- C12H20N2O5S
- Average molar mass
- 304.36 g/mol
- Monoisotopic mass
- 304.10929292
Names & identifiers
- Preferred name
- 2-(((5-((Dimethylamino)methyl)furan-2-yl)methyl)thio)ethanamine oxalate
- IUPAC
- 2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine;oxalic acid
- English name
- [5-[[(2-ammonioethyl)thio]methyl]furfuryl]dimethylammonium oxalate
- Molecular formula
- C12H20N2O5S
- Molecular weight
- 304.3626
Names & synonyms
97467-74-82-(((5-((Dimethylamino)methyl)furan-2-yl)methyl)thio)ethanamine oxalate4AX65KS9FMDTXSID20913901WRLHGMJMXYLANM-UHFFFAOYSA-NEINECS 306-922-22-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethan-1-amine; oxalic acid2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine;oxalic acid2-Furanmethanamine, 5-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-, ethanedioate (1:1)Oxalic acid--2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethan-1-amine (1/1)[5-[[(2-ammonioethyl)thio]methyl]furfuryl]dimethylammonium oxalate
Database identifiers
- CAS
97467-74-8- PubChem CID
- 44146366
- DTXSID
DTXSID20913901- UNII
- 4AX65KS9FM
- EC Number
- 306-922-2
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 227
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Related reactions
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Compound notes
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