4-Amino-1,2,4-triazolidine-3,5-dione
Basic information
- CAS
21531-96-4- Standard SMILES
Nn1c(=O)[nH][nH]c1=O- InChIKey
BWFMTHGMFVQPSE-UHFFFAOYSA-N- Molecular formula
- C2H4N4O2
- Average molar mass
- 116.08 g/mol
- Monoisotopic mass
- 116.03342538
Names & identifiers
- Preferred name
- 4-Amino-1,2,4-triazolidine-3,5-dione
- IUPAC
- 4-amino-1,2,4-triazolidine-3,5-dione
- English name
- 4-Amino-(4H)-1,2,4-Triazole-3,5-Diol
- Molecular formula
- C2H4N4O2
- Molecular weight
- 116.08
Names & synonyms
4-Amino-1,2,4-triazolidine-3,5-dioneDTXSID50286392RefChem:517387DTXCID10237542623-217-821531-96-44-AMINO-4H-1,2,4-TRIAZOLE-3,5-DIOL4-Amino-(4H)-1,2,4-Triazole-3,5-Diol1,2,4-Triazolidine-3,5-dione, 4-amino-MFCD00832076UrazinNSC45248
Show more names
4-AMINOURAZOLE
NSC156611SCHEMBL1085937SCHEMBL2851792ALBB-025569NSC-45248SBB000046AKOS003307185AT21276
Database identifiers
- CAS
21531-96-4- PubChem CID
- 239775
- DTXSID
DTXSID50286392- EC Number
- 623-217-8
- Nikkaji
- J83.081J
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 269 · 269-270 °C
- Density
- 1.603 · 1.603±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 5.38 · 5.38±0.30(Predicted)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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