1,3,8-Triazaspiro[4.5]decan-2-one
Basic information
- CAS
561314-52-1- Standard SMILES
O=C1NCC2(CCNCC2)N1- InChIKey
XLZONOPLKJMTSW-UHFFFAOYSA-N- Molecular formula
- C7H13N3O
- Average molar mass
- 155.2 g/mol
- Monoisotopic mass
- 155.10586205
Names & identifiers
- Preferred name
- 1,3,8-Triazaspiro[4.5]decan-2-one
- IUPAC
- 1,3,8-triazaspiro[4.5]decan-2-one
- English name
- 1,3,8-Triaza-spiro[4.5]decan-2-one
- Molecular formula
- C7H13N3O
- Molecular weight
- 155.2
Names & synonyms
1,3,8-Triazaspiro[4.5]decan-2-one561314-52-11,3,8-triaza-spiro[4.5]decan-2-oneMFCD17169839NSC6652822,4,8-triazaspiro[4.5]decan-3-oneDTXSID60327543AKOS016011564NSC-665282SB37675NCI60_022496SY321645
Show more names
1,3,8-triaza-spiro[4.5]decan-2-one HCL
EN300-261929AMY32579A870012SCHEMBL340232SCHEMBL4228889CHEMBL1997292CS-D0364CS-16948
Database identifiers
- CAS
561314-52-1- PubChem CID
- 379975
- DTXSID
DTXSID60327543- ChEMBL
CHEMBL1997292
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 418.3 · 418.3±45.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 14.56 · 14.56±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…