Basic information
- CAS
4628-39-1- Standard SMILES
O=C(O)Cc1cc(=O)[nH]c(=O)[nH]1- InChIKey
NQAUNZZEYKWTHM-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4
- Average molar mass
- 170.12 g/mol
- Monoisotopic mass
- 170.03275668
Overview
Uracil-6-ylacetic acid is a monocarboxylic acid comprising uracil having a carboxymethyl substituent at the 6-position. It is functionally related to an acetic acid and a uracil.
Names & identifiers
- Preferred name
- Uracil-4-acetic acid
- IUPAC
- 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
- English name
- Uracil-4-acetic acid
- Molecular formula
- C6H6N2O4
- Molecular weight
- 170.12
Names & synonyms
4628-39-16-CarboxymethyluracilUracil-4-acetic acid2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid2-(2,4-dioxo-1H-pyrimidin-6-yl)acetic acid1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidineacetic acidEF762EX2DY4-Pyrimidineacetic acid, 1,2,3,6-tetrahydro-2,6-dioxo-NSC 13201NSC-132016-URACILACETIC ACIDAI3-25481
Show more names
Nsc13201uracil-6-ylaceticaciuracil-6-ylacetic acid1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidineaceticaci2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-acetic acid2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidineacetic acid2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-6-acetic acid
2-(2,6-dihydroxypyrimidin-4-yl)acetic acidDTXSID40635392-(2-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDIN-4-YL)ACETIC ACIDRefChem:901149DTXCID8040484863-849-3URACIL-6-ACETIC ACID(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 187 · 187-189 °C(Solv: water (7732-18-5))
- Density
- 1.479 · 1.479±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.67 · 4.67±0.10(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 762 EX2DY · EF762EX2DY
- EPA Substance Registry System
- 1 · 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidineacetic acid (4628-39-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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)
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
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Pyrimidineacetic acid, 1,2,3,6-tetrahydro-2,6-dioxo-: ACTIVE
Applications
Uses(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-acetic acid
Upstream & downstream products
Upstream raw materials
Suppliers11 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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