Triuret
Basic information
- CAS
556-99-0- Standard SMILES
NC(=O)NC(=O)NC(N)=O- InChIKey
WNVQBUHCOYRLPA-UHFFFAOYSA-N- Molecular formula
- C3H6N4O3
- Average molar mass
- 146.11 g/mol
- Monoisotopic mass
- 146.04399007
Overview
Triuret is a member of condensed ureas.
Names & identifiers
- Preferred name
- Triuret
- IUPAC
- 1,3-dicarbamoylurea
- English name
- triuret
- Molecular formula
- C3H6N4O3
- Molecular weight
- 146.1
Names & synonyms
Triuret556-99-0Diimidotricarbonic diamideCarbonyldiureaDicarbamylureaN,N'-bis(aminocarbonyl)urea2,4-diimidotricarbonic diamideDTXSID90603146ID4233C3SNSC-29081CHEBI:36955RefChem:900646
Show more names
riure1,3-Dicarbamylurea1,1'-Carbonylbisurea1,3-diaminocarbonylureaTriammonium hydrochloride
DTXCID6041925209-147-7[(carbamoylamino)carbonyl]urea1,3-dicarbamoylureaTricarbonodiimidic diamideUrea, N,N'-bis(aminocarbonyl)-Urea, N,N''-carbonylbis-(Carbonylbis(azanediyl))bis(aminomethanone)
Database identifiers
- CAS
556-99-0- PubChem CID
- 68400
- DTXSID
DTXSID9060314- ChEBI
CHEBI:36955- UNII
- 6ID4233C3S
- EC Number
- 209-147-7
- Nikkaji
- J9.420J
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 227 °C · 227 °C (decomp)
- Density
- 1.547 · 1.547±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- solubility
- DMSO (Sparingly, Heated, Sonicated), Methanol (Very Slightly)
- pka
- 9.24 · 9.24±0.46(Predicted)
- form
- Solid
- color
- White to Pale Yellow
- FDA UNII
- 6 ID4233C3S · 6ID4233C3S
- EPA Substance Registry System
- Diimidotricarbonic diamide (556-99-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2924190002
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDiimidotricarbonic diamide: INACTIVE
Applications
UsesTriuret is a byproduct of purine degradation in living organisms. It is a product from the pyrolsis of urea.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: Triuret is a member of condensed ureas.
Suppliers
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Related reactions
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Compound notes
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