2H-Tetrazole-2-ethanamine, N,N-diethyl-5-phenyl-, monohydrochloride
Basic information
- CAS
108873-06-9- Standard SMILES
CCN(CC)CCn1nnc(-c2ccccc2)n1.Cl- InChIKey
XUKNQOUDJKSVKJ-UHFFFAOYSA-N- Molecular formula
- C13H20ClN5
- Average molar mass
- 281.78 g/mol
- Monoisotopic mass
- 281.1407234
Names & identifiers
- Preferred name
- 2H-Tetrazole-2-ethanamine, N,N-diethyl-5-phenyl-, monohydrochloride
- IUPAC
- N,N-diethyl-2-(5-phenyltetrazol-2-yl)ethanamine;hydrochloride
Names & synonyms
2H-Tetrazole-2-ethanamine, N,N-diethyl-5-phenyl-, monohydrochlorideN,N-Diethyl-5-phenyl-2H-tetrazole-2-ethanamine monohydrochloride108873-06-9DTXSID40148753RefChem:269241DTXCID1071244N,N-Diethyl-2-(5-phenyl-2H-tetrazol-2-yl)ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
108873-06-9- PubChem CID
- 3065786
- DTXSID
DTXSID40148753
Properties
Computed structural properties
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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