Xylopropamine sulfate
Basic information
- CAS
14543-76-1- Standard SMILES
Cc1ccc(CC(C)N)cc1C.Cc1ccc(CC(C)N)cc1C.O=S(=O)(O)O- InChIKey
JUEMAIYCXHJGDQ-UHFFFAOYSA-N- Molecular formula
- C22H36N2O4S
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.23957881
Names & identifiers
- Preferred name
- Xylopropamine sulfate
- IUPAC
- bis(1-(3,4-dimethylphenyl)propan-2-amine);sulfuric acid
Names & synonyms
XYLOPROPAMINE SULFATE3,4-Dimethylphenisopropylamine sulfateB464QNG39URefChem:1101095238-579-914543-76-1EINECS 238-579-9UNII-B464QNG39UXYLOPROPAMINE SULPHATEBis(alpha,3,4-trimethylphenethylammonium) sulphatePhenethylamine, alpha,3,4-trimethyl-, sulfate (2:1)Benzeneethanamine, alpha,3,4-trimethyl-, sulfate (2:1)
Show more names
DTXSID609325903,4-DIMETHYLAMPHETAMINE SULFATE(+/-)-3,4-DIMETHYLPHENISOPROPYLAMINE SULFATEQ27274338Sulfuric acid--1-(3,4-dimethylphenyl)propan-2-amine (1/2)
Database identifiers
- CAS
14543-76-1- PubChem CID
- 26726
- DTXSID
DTXSID60932590- UNII
- B464QNG39U
- EC Number
- 238-579-9
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 214
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Related reactions
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Compound notes
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