Basic information
- CAS
13055-06-6- Standard SMILES
O=C(O)CN(CC(=O)O)C1C(=O)NC(=O)NC1=O- InChIKey
QDHGQJQZPJPKJK-UHFFFAOYSA-N- Molecular formula
- C8H9N3O7
- Average molar mass
- 259.17 g/mol
- Monoisotopic mass
- 259.04404963
Overview
forms ligand with lithium, making one of most stable lithium complexes; structure
Names & identifiers
- Preferred name
- N-(carboxymethyl)-N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)glycine
- IUPAC
- 2-[carboxymethyl-(2,4,6-trioxo-1,3-diazinan-5-yl)amino]acetic acid
- English name
- URAMIL-N,N-DIACETIC ACID
- Molecular formula
- C8H9N3O7
- Molecular weight
- 259.17
Names & synonyms
13055-06-6Uramil-N,N-diacetic acidUramildiacetic acidGlycine, N-(carboxymethyl)-N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)-GF5S34DC5TNSC-28807Acetic acid, ((hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino)di-DTXSID1065340N-(Carboxymethyl)-N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)glycineRefChem:193182DTXCID3033987235-941-8
Show more names
Nsc28807UramildiaceticacidURAMIL-N,N-DIACETIC ACID 98+%2,2'-((2,4,6-Trioxohexahydropyrimidin-5-yl)(HEXAHYDRO-2,4,6-TRIOXO-5-PYRIMIDYL)-IMINODIACETIC ACID(Hexahydro-2,4,6-trioxopyrimidin-5-yl)iminodiacetic acidN-(Hexahydro-2,4,6-trioxopyrimidinyl)-iminodiacetic acid
2,2'-((2,4,6-Trioxohexahydropyrimidin-5-yl)azanediyl)diacetic acidUramildiacetate acidUramil-n,n-diacetic acid monohydrateMFCD000475562-[carboxymethyl-(2,4,6-trioxo-1,3-diazinan-5-yl)amino]acetic acid2-[(carboxymethyl)(2,4,6-trioxo-1,3-diazinan-5-yl)amino]acetic acidC8H9N3O7(Hexahydro-2,4,6-trioxo-5-pyrimidyl)iminodiacetic Acid
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Melting point
- 240 °C · 240 °C (decomp)
- Density
- 1.78 · 1.78±0.1 g/cm3(Predicted)
- pka
- 4.04 · 4.04±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light red
- CAS DataBase Reference
- 13055 · 13055-06-6
- FDA UNII
- 5 S34DC5T · GF5S34DC5T
- EPA Substance Registry System
- Glycine, N-(carboxymethyl)-N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)- (13055-06-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
- HS Code
- 2922.39 · 2922.39.5000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 2922.39.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGlycine, N-(carboxymethyl)-N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)-: INACTIVE
Suppliers21 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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