Basic information
- CAS
6170-26-9- Standard SMILES
CCC(=O)c1ccc(N)cc1.CCC(=O)c1ccc(N)cc1.O=S(=O)(O)O- InChIKey
IMRXDUWCXOLCOD-UHFFFAOYSA-N- Molecular formula
- C18H24N2O6S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.13550766
Names & identifiers
- Preferred name
- 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1)
- IUPAC
- bis(1-(4-aminophenyl)propan-1-one);sulfuric acid
- English name
- para-Aminopropiophenonesulphate
- Molecular formula
- C18H24N2O6S
- Molecular weight
- 396.45796
Names & synonyms
p-Aminopropiophenone sulfate6170-26-91-(4-Aminophenyl)-1-propanone sulfate (2:1)Propiophenone, 4'-amino-, sulfate (2:1)1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1)DTXSID002107081-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) (9CI)RefChem:234843DTXCID90133199PARA-AMINOPROPIOPHENONESULPHATESulfuric acid--1-(4-aminophenyl)propan-1-one (1/2)p-aminopropiophenone sulfate (2:1)
Database identifiers
- CAS
6170-26-9- PubChem CID
- 201530
- DTXSID
DTXSID00210708
Properties
Computed structural properties
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- RIDADR
- 2811 · 2811
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 2811
- hazard_class
- 6.1(b)
- packing_group
- III
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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