8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
Basic information
- CAS
974-41-4- Standard SMILES
O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2- InChIKey
QMECPMOWMNRLSL-UHFFFAOYSA-N- Molecular formula
- C20H23N3O
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.18411237
Names & identifiers
- Preferred name
- 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
- IUPAC
- 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
- English name
- 8-benzyl-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one
- Molecular formula
- C20H23N3O
- Molecular weight
- 321.42
Names & synonyms
974-41-48-benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one8-Benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneMFCD02929369CHEMBL2033561,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl-8-(phenylmethyl)-NSC6649968-Benzyl-1-phenyl-1,3,8-triazaspiro(4,5)decan-4-one8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan -4-onensc 73400NSC73400EINECS 213-549-8
Show more names
R 5079NSC 6649968-Benzyl-1,3,8-triazaspiro[4.5]decane-4-one8-benzyl-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one8-BENZYL-4-KETO-1-PHENYL-1,3,8-TRIAZASPIRO[4,5]DECANE8-Benzyl-4-oxo-phenyl-1,3,8-triazaspiro[4, 5]decane, 99%1-phenyl-8-(phenylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
Oprea1_499406SCHEMBL78476238-benzyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-oneDTXSID60242929QMECPMOWMNRLSL-UHFFFAOYSA-NALBB-034543BDBM50175929NSC-73400
Database identifiers
- CAS
974-41-4- PubChem CID
- 70419
- DTXSID
DTXSID60242929- ChEMBL
CHEMBL203356- EC Number
- 213-549-8
- Nikkaji
- J298.579I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Melting point
- 232 · 232-238℃
- Boiling point
- 538 ℃ · 538℃
- Density
- 1.22 · 1.22
- Flash point
- 279 ℃ · 279℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses8-Benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is a useful research chemical compound used in the synthetic preparation of N-(2-aryl-cyclohexyl) substituted spiropiperidines as a novel class of GlyT1 inhibitors.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…