Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, diphenylacetate
Basic information
- CAS
101657-02-7- Standard SMILES
C[N+](C)(C)C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.[Br-]- InChIKey
VBKBEUHDALYPGT-UHFFFAOYSA-M- Molecular formula
- C25H28BrNO2
- Average molar mass
- 454.4 g/mol
- Monoisotopic mass
- 453.13034
Names & identifiers
- Preferred name
- Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, diphenylacetate
- IUPAC
- [2-(2,2-diphenylacetyl)oxy-1-phenylethyl]-trimethylazanium bromide
Names & synonyms
FC 645/A101657-02-7(alpha-(Hydroxymethyl)benzyl)trimethylammonium bromide diphenylacetateAMMONIUM, (alpha-(HYDROXYMETHYL)BENZYL)TRIMETHYL-, BROMIDE, DIPHENYLACETATE(alpha-(Hydroxymethyl)benzyl)trimethylammonium bromide, diphenylacetateRefChem:318970DTXSID209064592-[(Diphenylacetyl)oxy]-N,N,N-trimethyl-1-phenylethan-1-aminium bromide
Database identifiers
- CAS
101657-02-7- PubChem CID
- 58689
- DTXSID
DTXSID20906459
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 447
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Compound notes
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