1,3-Diazaspiro[4.5]decane-2,4-dione
Basic information
- CAS
702-62-5- Standard SMILES
O=C1NC(=O)C2(CCCCC2)N1- InChIKey
NERNEXMEYQFFHU-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- 1,3-Diazaspiro[4.5]decane-2,4-dione
- IUPAC
- 1,3-diazaspiro[4.5]decane-2,4-dione
- English name
- 1,3-DIAZASPIRO[4.5]DECANE-2,4-DIONE
- Molecular formula
- C8H12N2O2
- Molecular weight
- 168.19
Names & synonyms
1,3-Diazaspiro[4.5]decane-2,4-dione5,5-PentamethylenehydantoinHydantoin, pentamethylene-5,5'-CyclohexanespirohydantoinBa 28405,5-PentamethylenespirohydantoinHydantoin, 5,5-pentamethylene-NSC 16617Spiro(cyclohexane-1,5'-hydantoin)NSC 172110Cyclohexane-(spiro-5)-hydantoinEINECS 211-868-7
Show more names
ba2840AKOS BBS-000007775-PENTAMETHYLENEHYDANTOINcyclohexanespiro-5’-hydantoin5,5-PENTAMETHYLENEHYDANTOIN 98%
BRN 0145234PentamethylenehydantoinAI3-037311,3-DIAZASPIRO(4.5)DECANE-2,4-DIONEDTXSID50610335-24-07-00294 (Beilstein Handbook Reference)Spiro[cyclohexane-1,5'-hydantoin]RefChem:72577
Database identifiers
- CAS
702-62-5- PubChem CID
- 12799
- DTXSID
DTXSID5061033- ChEMBL
CHEMBL79885- EC Number
- 211-868-7
- Nikkaji
- J26.671J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 217 · 217-219°C
- Boiling point
- 297.13 °C · 297.13°C (rough estimate)
- Density
- 1.1835 · 1.1835 (rough estimate)
- refractive index
- 1.42 · 1.4200 (estimate)
- pka
- 10.58 · 10.58±0.20(Predicted)
- form
- crystalline solid
- color
- White
- CAS DataBase Reference
- 702 · 702-62-5(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1,3-Diazaspiro[4.5]decane-2,4-dione (702-62-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Risk Statements
- 22 · 22
- Safety Statements
- 22 · 22-36/37
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2933998090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- safety_code
- 22-36/37
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Diazaspiro[4.5]decane-2,4-dione: INACTIVE
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…