Basic information
- CAS
41736-95-2- Standard SMILES
C1C2CC3CC1CC(C2)C31N=N1- InChIKey
PNVXTJMLAFYDOJ-UHFFFAOYSA-N- Molecular formula
- C10H14N2
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.11569846
Overview
structure in second source
Names & identifiers
- Preferred name
- Spiro(3H-diazirine-3,2'-tricyclo(3.3.1.13,7)decane)
- IUPAC
- spiro[adamantane-2,3'-diazirine]
- English name
- adamantane diazirine
- Molecular formula
- C10H14N2
- Molecular weight
- 162.23156
Names & synonyms
Adamantane diazirine41736-95-2Spiro(3H-diazirine-3,2'-tricyclo(3.3.1.1(3,7))decane)RefChem:932059Spiro(3H-diazirine-3,2'-tricyclo(3.3.1.13,7)decane)spiro[adamantane-2,3'-diazirine]starbld0002461orb1698748SCHEMBL12339179adamantane-2-spiro-3'-diazirineDTXSID00961940Spiro(adamantane-2,2'-diazirine)
Show more names
AKOS040750127T29639EN300-22882763(1r,3r,5r,7r)-spiro[adamantane-2,2'-diazirine]Spiro[diazirene-3,2'-tricyclo[3.3.1.1~3,7~]decane]Spiro[diazirine-3,2'-tricyclo[3.3.1.1~3,7~]decane]
Database identifiers
- CAS
41736-95-2- PubChem CID
- 64353
- DTXSID
DTXSID00961940- Nikkaji
- J598.094A、J997.796A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 233
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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