Basic information
- CAS
101710-56-9- Standard SMILES
CC[N+](CC)(CC)CCCOC(=O)CC(c1ccccc1)C(C)C.[Br-]- InChIKey
LBUPYMVDSBFGNN-UHFFFAOYSA-M- Molecular formula
- C21H36BrNO2
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 413.19294
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate
- IUPAC
- triethyl-[3-(4-methyl-3-phenylpentanoyl)oxypropyl]azanium bromide
Names & synonyms
C 4303AMMONIUM, (3-HYDROXYPROPYL)TRIETHYL-, BROMIDE, 3-METHYL-2-PHENYLVALERATE101710-56-91-Propanaminium, 3-((3-methyl-2-phenylvaleryl)oxy)-N,N,N-triethyl-, bromideRefChem:3188811-Propanaminium, 3-((3-methyl-2-phenylvaleryl)oxy)-N,N,N-triethyl-, bromide (9CI)DTXSID70906520n,n,n-triethyl-3-[(4-methyl-3-phenylpentanoyl)oxy]propan-1-aminium bromide
Database identifiers
- CAS
101710-56-9- PubChem CID
- 58746
- DTXSID
DTXSID70906520
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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