Basic information
- CAS
64046-31-7- Standard SMILES
C=CC[N+](C)(C)c1cc(OC(=O)NC)ccc1C.[Br-]- InChIKey
DKUACOXWOPCTCZ-UHFFFAOYSA-N- Molecular formula
- C14H21BrN2O2
- Average molar mass
- 329.23 g/mol
- Monoisotopic mass
- 328.07864
Names & identifiers
- Preferred name
- Ammonium, ((5-hydroxy-2-methyl)phenyl)allyldimethyl-, bromide, methylcarbamate
- IUPAC
- dimethyl-[2-methyl-5-(methylcarbamoyloxy)phenyl]-prop-2-enylazanium bromide
Names & synonyms
TL-1354Carbamic acid, methyl-, 3-(allyldimethylammonio)-p-tolyl ester, bromideAmmonium, ((2-methyl-5-methylcarbamoyloxy)phenyl)allyldimethyl-, bromideCarbamic acid, N-methyl-, 4-methyl-3-dimethylaminophenyl ester, allylbromideAMMONIUM, ((5-HYDROXY-2-METHYL)PHENYL)ALLYLDIMETHYL-, BROMIDE, METHYLCARBAMATE64046-31-7RefChem:318658
Database identifiers
- CAS
64046-31-7- PubChem CID
- 46607
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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