Basic information
- CAS
63981-89-5- Standard SMILES
C=CC[N+](C)(C)c1ccc(OC(=O)NC)cc1C(C)C.[Br-]- InChIKey
NVKANBMTJYPYBP-UHFFFAOYSA-N- Molecular formula
- C16H25BrN2O2
- Average molar mass
- 357.29 g/mol
- Monoisotopic mass
- 356.10994
Names & identifiers
- Preferred name
- Ammonium, (4-hydroxy-o-cumenyl)allyldimethyl-, bromide, methylcarbamate
- IUPAC
- dimethyl-[4-(methylcarbamoyloxy)-2-propan-2-ylphenyl]-prop-2-enylazanium bromide
Names & synonyms
TL-1522Ammonium, (4-methylcarbamoyloxy-o-cumenyl)allyldimethyl-, bromideCarbamic acid, methyl-, (4-allyldimethylammonio)-m-cumenyl ester, bromideAMMONIUM, (4-HYDROXY-o-CUMENYL)ALLYLDIMETHYL-, BROMIDE, METHYLCARBAMATECarbamic acid, N-methyl-, 3-isopropyl-4-dimethylaminophenyl ester, allylbromide63981-89-5RefChem:318919
Database identifiers
- CAS
63981-89-5- PubChem CID
- 46023
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…