Basic information
- CAS
16719-34-9- Standard SMILES
C=C=CC[NH+](C)Cc1ccccc1Cl.[Cl-]- InChIKey
UETFIVDVPMGKPC-UHFFFAOYSA-N- Molecular formula
- C12H15Cl2N
- Average molar mass
- 244.16 g/mol
- Monoisotopic mass
- 243.0581549
Names & identifiers
- Preferred name
- Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride
- IUPAC
- buta-2,3-dienyl-[(2-chlorophenyl)methyl]-methylazanium chloride
Names & synonyms
N-2,3-Butadienyl-N-methyl-o-chlorobenzylamine hydrochlorideU-137916719-34-92,3-Butadien-1-ol,N-methyl-o-chloro-benzylamineBenzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochlorideBENZYLAMINE, N-(2,3-BUTADIENYL)-o-CHLORO-N-METHYL-, HYDROCHLORIDERefChem:324821Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride (9CI)
Database identifiers
- CAS
16719-34-9- PubChem CID
- 28006
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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