Basic information
- CAS
160172-95-2- Standard SMILES
CC(C)N1CCCN2CCCN=C21- InChIKey
INNBYWMGBODUGY-UHFFFAOYSA-N- Molecular formula
- C10H19N3
- Average molar mass
- 181.28 g/mol
- Monoisotopic mass
- 181.15789762
Names & identifiers
- Preferred name
- 7-Isopropyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene
- IUPAC
- 1-propan-2-yl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
- English name
- 7-propan-2-yl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
- Molecular formula
- C10H19N3
- Molecular weight
- 181.28
Names & synonyms
160172-95-27-Isopropyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene7-PROPAN-2-YL-1,5,7-TRIAZABICYCLO[4.4.0]DEC-5-ENE1-propan-2-yl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidineSCHEMBL252637DTXSID001668127-isopropyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (ITBD)1-(Propan-2-yl)-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-1-(1-methylethyl)-
Database identifiers
- CAS
160172-95-2- PubChem CID
- 145656
- DTXSID
DTXSID00166812
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 18.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 318.3 · 318.3±11.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 14.66 · 14.66±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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