Benzenamine, N,N-dimethyl-, sulfate (1:1)
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Basic information
- CAS
58888-49-6- Standard SMILES
CN(C)c1ccccc1.O=S(=O)(O)O- InChIKey
GVDIQFPDYZBNMO-UHFFFAOYSA-N- Molecular formula
- C8H13NO4S
- Average molar mass
- 219.26 g/mol
- Monoisotopic mass
- 219.05652907
Names & identifiers
- Preferred name
- Benzenamine, N,N-dimethyl-, sulfate (1:1)
- IUPAC
- N,N-dimethylaniline;sulfuric acid
- English name
- Benzenamine, N,N-dimethyl-, sulfate (1:1)
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
Benzenamine, N,N-dimethyl-, sulfate (1:1)58888-49-6DTXSID1069293RefChem:117242DTXCID7042489N,N-dimethylaniline;sulfuric aciddimethyl aniline sulfateSCHEMBL4958447Sulfuric acid--N,N-dimethylaniline (1/1)N,N-Dimethylaniline sulfateN,N-Dimethylanilinium bisulfateN,N-Dimethylanilinium hydrogen sulfate
Database identifiers
- CAS
58888-49-6- PubChem CID
- 100875
- DTXSID
DTXSID1069293
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 88 · 88-89℃
- pka
- 5.15 · 5.15(at 25℃)
- Relative polarity
- 0.179 · 0.179
- CAS DataBase Reference
- 58888 · 58888-49-6(CAS DataBase Reference)
- EPA Substance Registry System
- Benzenamine, N,N-dimethyl-, sulfate (1:1) (58888-49-6)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, N,N-dimethyl-, sulfate (1:1): ACTIVE
Related reactions
4 records
Compound notes
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