Basic information
- CAS
167613-80-1- Standard SMILES
Nc1nc(=O)[nH]c(=O)[nH]1- InChIKey
YSKUZVBSHIWEFK-UHFFFAOYSA-N- Molecular formula
- C3H4N4O2
- Average molar mass
- 128.09 g/mol
- Monoisotopic mass
- 128.03342537
Overview
Ammelide is a monoamino-1,3,5-triazine and a dihydroxy-1,3,5-triazine.
Names & identifiers
- Preferred name
- Ammelide
- IUPAC
- 6-amino-1H-1,3,5-triazine-2,4-dione
- English name
- AMMELIDE
- Molecular formula
- C3H4N4O2
- Molecular weight
- 128.09
Names & synonyms
AMMELIDE645-93-26-amino-1,3,5-triazine-2,4-diol6-Amino-1,3,5-triazine-2,4(1H,3H)-dione2,4-Dihydroxy-6-amino-1,3,5-triazineDTXSID10214757NSC-8146J604QC4098CHEBI:28134RefChem:112114DTXCID40137248211-456-7
Show more names
CYANURAMIDEMELAMINE POWDERAMMelidGS 35713NSC 8146AMMELIDE(P)Ammelide >NSC 2130-15N3Ammelide ,98%
6-Amino-S-triazine-2,4-diol6-amino-1H-1,3,5-triazine-2,4-dione1,3,5-Triazine-2,4(1H,3H)-dione, 6-amino-MFCD00049046AI3-610386-AMINO-2,4-DIHYDROXY-1,3,5-TRIAZINEAmmedlideCID 5281299
Database identifiers
- CAS
167613-80-1、645-93-2- PubChem CID
- 12584
- DTXSID
DTXSID10214757- ChEBI
CHEBI:28134- UNII
- J604QC4098
- EC Number
- 211-456-7、803-297-2
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 237.47 °C · 237.47°C (rough estimate)
- Density
- 1.573 · 1.573
- refractive index
- 1.801 · 1.8010 (estimate)
- storage temp.
- Refrigerator
- solubility
- Aqueous Base (Very Slightly), DMSO (Very Slightly, Heated, Sonicated)
- pka
- 7.22 · 7.22±0.10(Predicted)
- color
- White to Off-White
- Water Solubility
- 76.85 mg/L · 76.85mg/L(2 ºC)
- Major Application
- cleaning productscosmeticsfood and beveragespersonal care
- InChI
- 1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)
Safety & regulation
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.
Warning
Hazard information
Regulatory Information
Chemical: 1,3,5-Triazine-2,4(1H,3H)-dione, 6-amino-
Regulation (EC) No 178/2002 (amended)
Hazard Classes and Categories
Skin Irrit. 2 (40%)
Skin Irrit. 2 (100%)
Safety data
- wgk
- 1
- rtecs
- OS0700000
- hs_code
- 2933.69.6050
- risk_code
- 43-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
UsesA stable labelled analogue of Melamine
UsesA related compound of Melamine.
UsesAmmelide, is a metabolite of Melamine (1) (M208700), which acts as a non-protein nitrogen food additive (2). Also present in pet foods as well (3).Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA). Environmental contaminants; Food contaminants.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
CHEMSTEP[email protected]
Additional notes
DefinitionChEBI: Ammelide is a dihydroxy-1,3,5-triazine and a monoamino-1,3,5-triazine.
Related reactions
2 records
Compound notes
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