Ammonium, (m-hydroxyphenyl)allyldimethyl-, bromide, methylcarbamate
Basic information
- CAS
64046-07-7- Standard SMILES
C=CC[N+](C)(C)c1cccc(OC(=O)NC)c1.[Br-]- InChIKey
AYQQVKJHUXSSER-UHFFFAOYSA-N- Molecular formula
- C13H19BrN2O2
- Average molar mass
- 315.21 g/mol
- Monoisotopic mass
- 314.06299
Names & identifiers
- Preferred name
- Ammonium, (m-hydroxyphenyl)allyldimethyl-, bromide, methylcarbamate
- IUPAC
- dimethyl-[3-(methylcarbamoyloxy)phenyl]-prop-2-enylazanium bromide
Names & synonyms
TL-1435Ammonium, (3-(N-methylcarbamoyloxy)phenyl)allyldimethyl-, bromideCarbamic acid, N-methyl-, 3-dimethylaminophenyl ester, allyl bromideAMMONIUM, (m-HYDROXYPHENYL)ALLYLDIMETHYL-, BROMIDE, METHYLCARBAMATE64046-07-7RefChem:318998
Database identifiers
- CAS
64046-07-7- PubChem CID
- 46565
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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