1-(1-Adamantyl)-5-propyltetrazole
Basic information
- CAS
24886-63-3- Standard SMILES
CCCc1nnnn1C12CC3CC(CC(C3)C1)C2- InChIKey
QKDUVPARXZFARB-UHFFFAOYSA-N- Molecular formula
- C14H22N4
- Average molar mass
- 246.35 g/mol
- Monoisotopic mass
- 246.18444672
Names & identifiers
- Preferred name
- 1-(1-Adamantyl)-5-propyltetrazole
- IUPAC
- 1-(1-adamantyl)-5-propyltetrazole
Names & synonyms
24886-63-31-(1-adamantyl)-5-propyltetrazoleNSC140707DTXSID20301041NSC-1407071-(Adamantan-1-yl)-5-propyl-1H-tetrazole
Database identifiers
- CAS
24886-63-3- PubChem CID
- 284633
- DTXSID
DTXSID20301041
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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