Basic information
- CAS
4429-97-4- Standard SMILES
c1ncc2c(n1)CCCCCCCCCC2- InChIKey
CXLMQNDFKHWBOQ-UHFFFAOYSA-N- Molecular formula
- C14H22N2
- Average molar mass
- 218.34 g/mol
- Monoisotopic mass
- 218.17829871
Names & identifiers
- Preferred name
- Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-
- IUPAC
- 5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
- English name
- 5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
- Molecular formula
- C14H22N2
- Molecular weight
- 218.33788
Names & synonyms
4429-97-4EINECS 224-616-6Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-DTXSID008633945,6,7,8,9,10,11,12,13,14-Decahydrocyclododeca(e)pyrimidineRefChem:580301DTXCID608120205,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine5,6,7,8,9,10,11,12,13,14-Decahydrocyclododeca(d)pyrimidineSCHEMBL2946238CHEMBL3251592CXLMQNDFKHWBOQ-UHFFFAOYSA-N
Show more names
5,6,7,8,9,10,11,12,13,14-Decahydrocyclododecapyrimidine
NS00049079
Database identifiers
- CAS
4429-97-4- PubChem CID
- 78154
- DTXSID
DTXSID00863394- ChEMBL
CHEMBL3251592- EC Number
- 224-616-6
- Nikkaji
- J205.806E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- EPA Substance Registry System
- 5 · Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro- (4429-97-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…