2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(3,4-dimethoxyphenyl)-, monohydrochloride
Basic information
- CAS
158553-49-2- Standard SMILES
CCN(CC)CCn1nnc(-c2ccc(OC)c(OC)c2)n1.Cl- InChIKey
QFFLQIRXFHPPFD-UHFFFAOYSA-N- Molecular formula
- C15H24ClN5O2
- Average molar mass
- 341.83 g/mol
- Monoisotopic mass
- 341.1618527
Names & identifiers
- Preferred name
- 2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(3,4-dimethoxyphenyl)-, monohydrochloride
- IUPAC
- 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride
Names & synonyms
2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(3,4-dimethoxyphenyl)-, monohydrochlorideN,N-Diethyl-5-(3,4-dimethoxyphenyl)-2H-tetrazole-2-ethanamine monohydrochloride158553-49-2DTXSID60166459RefChem:269239DTXCID10889502-[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]-N,N-diethylethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
158553-49-2- PubChem CID
- 3074487
- DTXSID
DTXSID60166459
Properties
Computed structural properties
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 316
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…