Basic information
- CAS
158553-54-9- Standard SMILES
CN(C)CCn1nnc(-c2ccc(Cl)cc2)n1.Cl- InChIKey
ZSQXNAYOQLZVHJ-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2N5
- Average molar mass
- 288.17 g/mol
- Monoisotopic mass
- 287.0704509
Names & identifiers
- Preferred name
- 2H-Tetrazole-2-ethanamine, 5-(4-chlorophenyl)-N,N-dimethyl-, monohydrochloride
- IUPAC
- 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dimethylethanamine;hydrochloride
Names & synonyms
2H-Tetrazole-2-ethanamine, 5-(4-chlorophenyl)-N,N-dimethyl-, monohydrochloride5-(4-Chlorophenyl)-N,N-dimethyl-2H-tetrazole-2-ethanamine monohydrochloride158553-54-9DTXSID10166464RefChem:269238DTXCID60889552-[5-(4-Chlorophenyl)-2H-tetrazol-2-yl]-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
158553-54-9- PubChem CID
- 3074497
- DTXSID
DTXSID10166464
Properties
Computed structural properties
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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