Basic information
- CAS
109731-98-8- Standard SMILES
C[N+](C)(C)c1cccc(OCC(O)CO)c1.[Br-]- InChIKey
XXKVUMVKGKQORA-UHFFFAOYSA-M- Molecular formula
- C12H20BrNO3
- Average molar mass
- 306.2 g/mol
- Monoisotopic mass
- 305.06266
Names & identifiers
- Preferred name
- Ammonium, (m-(2,3-dihydroxypropoxy)phenyl)trimethyl-, bromide
- IUPAC
- [3-(2,3-dihydroxypropoxy)phenyl]-trimethylazanium bromide
- English name
- (m-(2,3-Dihydroxypropoxy)phenyl)trimethylammonium bromide
- Molecular weight
- 0
Names & synonyms
109731-98-8AMMONIUM, (m-(2,3-DIHYDROXYPROPOXY)PHENYL)TRIMETHYL-, BROMIDERefChem:1076807(m-(2,3-Dihydroxypropoxy)phenyl)trimethylammonium bromide3-(m-Dimethylaminophenoxy)-1,2-propanediol methobromideSCHEMBL22490942[3-(2,3-dihydroxypropoxy)phenyl]-trimethylazanium;bromide3-(2,3-dihydroxypropoxy)-n,n,n-trimethylanilinium bromideDTXSID40911308
Database identifiers
- CAS
109731-98-8- PubChem CID
- 60367
- DTXSID
DTXSID40911308
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 203
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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