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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12374077Generated: October 26, 2026

1,4-Diazabicyclo[3.2.1]octane

1,4-Diazabicyclo[3.2.1]octane

https://huagongshe.com/en/chemical/12374077

1,4-Diazabicyclo[3.2.1]octane molecular structure

Identifiers & Physical Properties

CAS No.5167-08-8
Molecular formulaC6H12N2
Average molar mass112.17 g/mol
Monoisotopic mass112.10004839 g/mol
SMILESC1CN2CCC(C2)N1
InChIKeyKYCAEEFYFFBAAP-UHFFFAOYSA-N
PubChem CID12374077
ChEMBLCHEMBL5222474
DTXSIDDTXSID40494984

Chemical & Physical Properties

XLogP-0.2
Topological polar surface area15.3
Hydrogen bond donors1
Hydrogen bond acceptors2
Rotatable bonds0
Heavy atoms8
Formal charge0
Complexity92