2H-Tetrazole-2-ethanamine, 5-(4-bromophenyl)-N,N-diethyl-, monohydrochloride
Basic information
- CAS
158553-50-5- Standard SMILES
CCN(CC)CCn1nnc(-c2ccc(Br)cc2)n1.Cl- InChIKey
CWGNJRDNIBULFX-UHFFFAOYSA-N- Molecular formula
- C13H19BrClN5
- Average molar mass
- 360.68 g/mol
- Monoisotopic mass
- 359.05124
Names & identifiers
- Preferred name
- 2H-Tetrazole-2-ethanamine, 5-(4-bromophenyl)-N,N-diethyl-, monohydrochloride
- IUPAC
- 2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride
Names & synonyms
2H-Tetrazole-2-ethanamine, 5-(4-bromophenyl)-N,N-diethyl-, monohydrochloride5-(4-Bromophenyl)-N,N-diethyl-2H-tetrazole-2-ethanamine monohydrochloride158553-50-5DTXSID70166460RefChem:269236DTXCID60889512-[5-(4-Bromophenyl)-2H-tetrazol-2-yl]-N,N-diethylethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
158553-50-5- PubChem CID
- 3074489
- DTXSID
DTXSID70166460
Properties
Computed structural properties
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 253
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Compound notes
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