Basic information
- CAS
16719-32-7- Standard SMILES
C=C=CC[NH+](C)Cc1ccccc1.[Cl-]- InChIKey
QEUASYHCZZLPJX-UHFFFAOYSA-N- Molecular formula
- C12H16ClN
- Average molar mass
- 209.71 g/mol
- Monoisotopic mass
- 209.0971272
Names & identifiers
- Preferred name
- Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride
- IUPAC
- benzyl-buta-2,3-dienyl-methylazanium chloride
Names & synonyms
Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride16719-32-7RefChem:1078506BENZYLAMINE, N-2,3-BUTADIENYL-N-METHYL-, HYDROCHLORIDEU 1247N-2,3-Butadienyl-N-methylbenzylamine hydrochlorideNSC 296331U-1247
Database identifiers
- CAS
16719-32-7- PubChem CID
- 28004
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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