Bis(2-carboxyethyl) Isocyanurate
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Basic information
- CAS
2904-40-7- Standard SMILES
O=C(O)CCn1c(=O)[nH]c(=O)n(CCC(=O)O)c1=O- InChIKey
JCUMQTAAEUDUPK-UHFFFAOYSA-N- Molecular formula
- C9H11N3O7
- Average molar mass
- 273.2 g/mol
- Monoisotopic mass
- 273.0596997
Names & identifiers
- Preferred name
- Bis(2-carboxyethyl) Isocyanurate
- IUPAC
- 3-[3-(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid
- English name
- BIS(2-CARBOXYETHYL) ISOCYANURATE
- Molecular formula
- C9H11N3O7
- Molecular weight
- 273.2
Names & synonyms
Bis(2-carboxyethyl) IsocyanurateRefChem:568699678-565-32904-40-73,3'-(2,4,6-trioxo-1,3,5-triazinane-1,3-diyl)dipropanoic acidbis(2-carboxyethyl)isocyanurate1,3,5-Triazine-1,3(2H,4H)-dipropanoic acid, dihydro-2,4,6-trioxo-3-[3-(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acidIsocyanuric Acid Bis(2-carboxyethyl) Ester3,3'-(2,4,6-Trioxo-1,3,5-triazinane-1,3-diyl)dipropionic acidNSC11693BAS 00721837
Show more names
dipropanoic acidBis(2-carboxyethyl)lsocyanurateBis(2-carboxyethyl)Isocyanurate>ISOCYANURIC ACID BIS(2-CARBOXYETHYL) ESTER3,3'-(2,4,6-Trioxo-1,3,5-triazinane-1,3-diyl)2,4,6-Trioxohexahydro-1,3,5-triazine-1,3-bis(propionic acid)3,5-Triazine-1,3(2H,4H)-dipropanoicacid,dihydro-2,4,6-trioxo-1
Oprea1_639903MLS000714514SCHEMBL677227CHEMBL469106C9H11N3O7DTXSID10279205JCUMQTAAEUDUPK-UHFFFAOYSA-NHMS2685A16
Database identifiers
- CAS
2904-40-7- PubChem CID
- 223763
- DTXSID
DTXSID10279205- ChEMBL
CHEMBL469106- EC Number
- 678-565-3
- Nikkaji
- J76.710G
Properties
Computed structural propertiesFilling in
- XLogP
- -1.8
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Melting point
- 289 °C · 289 °C
- Density
- 1.592 · 1.592±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Dimethylformamide
- form
- powder to crystal
- pka
- 4.07 · 4.07±0.10(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 2904 · 2904-40-7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 2933.69 · 2933.69.6050
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.69.6050
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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