2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1)
Basic information
- CAS
158553-48-1- Standard SMILES
CCN(CC)CCn1nnc(-c2ccc(OC)cc2)n1.Cl- InChIKey
FPBWQHONJQVOOA-UHFFFAOYSA-N- Molecular formula
- C14H22ClN5O
- Average molar mass
- 311.81 g/mol
- Monoisotopic mass
- 311.151288
Names & identifiers
- Preferred name
- 2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1)
- IUPAC
- N,N-diethyl-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine;hydrochloride
Names & synonyms
2H-Tetrazole-2-ethanamine, N,N-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1)N,N-Diethyl-5-(4-methoxyphenyl)-2H-tetrazole-2-ethanamine hydrochloride hydrate (1:1:1)158553-48-1DTXSID00166458RefChem:269240DTXCID20889492-(2-diethylaminoethyl)-5-(-4-methoxyphenyl)tetrazole hydrochlorideN,N-Diethyl-2-[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
158553-48-1- PubChem CID
- 3074485
- DTXSID
DTXSID00166458
Properties
Computed structural properties
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 266
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Compound notes
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