Basic information
- CAS
101198-21-4- Standard SMILES
CC1CCc2nc3c(nc21)CCC3C- InChIKey
AVQZINQGRAICIR-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Overview
obtained from browning reaction of cyclotene & ammonia under simulated cooking conditions; RN given refers to (trans)-isomer; structure given in first source
Names & identifiers
- Preferred name
- 1,5-dimethyl-2,3,6,7-tetrahydro-1H,5H-biscyclopentapyrazine
- IUPAC
- 4,10-dimethyl-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene
- English name
- 1,5-dimethyl-2,3,6,7-tetrahydro-1H,5H-biscyclopentapyrazine
- Molecular weight
- 0
Names & synonyms
1,5-Dtbcp1,5-Dimethyl-2,3,6,7-tetrahydro-1H,5H-biscyclopentapyrazine72438-09-6RefChem:907030101198-21-41,5(or 7)-Dimethyl-1,2,3,5,6,7-hexahydrodicyclopentapyrazine1,5(or 7)-Dimethyl-2,3,6,7-tetrahydro-1H,5H-biscyclopentapyrazineDICYCLOPENTAPYRAZINE, 1,2,3,5,6,7-HEXAHYDRO-1,5(or 7)-DIMETHYL-DTXSID70905977trans-1,5-Dimethyl-2,3,6,7-tetrahydro-1H,5H-biscyclopentapyrazine1,5-dimethyl-1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyrazineDicyclopenta(b,e)pyrazine, 1,2,3,5,6,7-hexahydro-1,5-dimethyl-, trans-
Database identifiers
- CAS
101198-21-4、72438-09-6- PubChem CID
- 58205
- DTXSID
DTXSID70905977- Nikkaji
- J72.906J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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