1,3,8-Triazaspiro[4.5]decane-2,4-dione
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Basic information
- CAS
13625-39-3- Standard SMILES
O=C1NC(=O)C2(CCNCC2)N1- InChIKey
HRSWSISJJJDBOQ-UHFFFAOYSA-N- Molecular formula
- C7H11N3O2
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.08512659
Names & identifiers
- Preferred name
- 1,3,8-Triazaspiro[4.5]decane-2,4-dione
- IUPAC
- 1,3,8-triazaspiro[4.5]decane-2,4-dione
- English name
- 1,3,8-TRIAZA-SPIRO[4.5]DECANE-2,4-DIONE
- Molecular formula
- C7H11N3O2
- Molecular weight
- 169.18
Names & synonyms
1,3,8-triazaspiro[4.5]decane-2,4-dione13625-39-3DTXSID20276240RefChem:412801DTXCID502275681,3,8-Triaza-spiro[4.5]decane-2,4-dioneMFCD06660736piperidine-4-spirohydantoinSCHEMBL239415AKOS000122980CCG-309929CS-W021275
Show more names
IFLAB-BB F2124-07481,3,8-Triazaspiro[4.5]decan-2,4-dione2,4-Dioxo-1,3,8-triazaspiro[4.5]decane1,3,8-Triazaspiro[4.5]decane-2,4-dione (8CI, 9CI, ACI)
FS-2484PB404172,4,8-triazaspiro[4.5]decane-1,3-dione1,3,8-Triaza-spSCHEMBL1630318SCHEMBL1632030NAA62539SBB085337
Database identifiers
- CAS
13625-39-3- PubChem CID
- 120989
- DTXSID
DTXSID20276240- EC Number
- 106-739-6
- Nikkaji
- J775.699B
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 314 · 314-316 °C
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- pka
- 9.27 · 9.27±0.20(Predicted)
- Appearance
- White to yellow Solid
- InChI
- InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)1-3-8-4-2-7/h8H,1-4H2,(H2,9,10,11,12)
- InChIKey
- HRSWSISJJJDBOQ-UHFFFAOYSA-N
- SMILES
- N1C2(CCNCC2)C(=O)NC1=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280-P261-P304-P340-P301-P330-P302-P352-P312-P362+P364
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2914199090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H312-H332
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P261-P304-P340-P301-P330-P302-P352-P312-P362+P364
Suppliers
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Related reactions
10 records
Compound notes
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