Basic information
- CAS
109748-10-9- Standard SMILES
CCCCCCCCn1nnn(Cc2ccccc2)c1=N.CS(=O)(=O)O- InChIKey
UKSJXINWSRVBQP-UHFFFAOYSA-N- Molecular formula
- C17H29N5O3S
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.19911098
Names & identifiers
- Preferred name
- 1-benzyl-4-octyl-1,4-dihydro-5H-tetraazol-5-imine methanesulfonate
- IUPAC
- 1-benzyl-4-octyltetrazol-5-imine;methanesulfonic acid
- English name
- 1-Benzyl-4-octyl-1,4-dihydro-5H-tetraazol-5-imine methanesulfonate
- Molecular formula
- C16H25N5.CH4O3S
- Molecular weight
- 383.51
Names & synonyms
AKOS0244059621-benzyl-4-octyl-1,4-dihydro-5H-tetraazol-5-imine methanesulfonate5H-Tetrazol-5-imine, 1,4-dihydro-1-octyl-4-(phenylmethyl)-, methanesulfonate (1:1)
Database identifiers
- CAS
109748-10-9- PubChem CID
- 90486367
- EC Number
- 123-438-5
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 428
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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