2H-Tetrazole-2-ethanamine, 5-(3,4-dimethoxyphenyl)-N,N-dimethyl-, monohydrochloride
Basic information
- CAS
158553-53-8- Standard SMILES
COc1ccc(-c2nnn(CCN(C)C)n2)cc1OC.Cl- InChIKey
DKIPKDRZRCIFKZ-UHFFFAOYSA-N- Molecular formula
- C13H20ClN5O2
- Average molar mass
- 313.78 g/mol
- Monoisotopic mass
- 313.1305526
Names & identifiers
- Preferred name
- 2H-Tetrazole-2-ethanamine, 5-(3,4-dimethoxyphenyl)-N,N-dimethyl-, monohydrochloride
- IUPAC
- 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N,N-dimethylethanamine;hydrochloride
Names & synonyms
2H-Tetrazole-2-ethanamine, 5-(3,4-dimethoxyphenyl)-N,N-dimethyl-, monohydrochloride5-(3,4-Dimethoxyphenyl)-N,N-dimethyl-2H-tetrazole-2-ethanamine monohydrochloride158553-53-8DTXSID50166463RefChem:269235DTXCID10889542-[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
158553-53-8- PubChem CID
- 3074495
- DTXSID
DTXSID50166463
Properties
Computed structural properties
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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