3-(4,6-Dimethoxypyrimidin-2-yl)propanoic acid
Basic information
- CAS
386715-41-9- Standard SMILES
COc1cc(OC)nc(CCC(=O)O)n1- InChIKey
SDYFADHIGDAJDG-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.07970687
Names & identifiers
- Preferred name
- 3-(4,6-Dimethoxypyrimidin-2-yl)propanoic acid
- IUPAC
- 3-(4,6-dimethoxypyrimidin-2-yl)propanoic acid
- English name
- 3-(4,6-DIMETHOXYPYRIMIDIN-2-YL)PROPANOICACID
- Molecular formula
- C9H12N2O4
- Molecular weight
- 212.2
Names & synonyms
3-(4,6-Dimethoxypyrimidin-2-yl)propanoic acid386715-41-9DTXSID30371210RefChem:274297DTXCID50322244814-039-3MFCD015680753-(4,6-dimethoxypyrimidin-2-yl)propionic acid4,6-Dimethoxy-2-pyrimidinepropanoic acidPeakdale1_001517HMS522E21SCHEMBL5717600
Show more names
2-Pyrimidinepropanoic acid, 4,6-dimethoxy-3-(4,6-Dimethoxypyrimidin-2-yl)propanoic acid 95+%3-(4,6-DIMETHOXYPYRIMIDIN-2-YL)PROPANOICACID ISO 9001：2015 REACH2-(2-Carboxyethyl)-4,6-dimethoxypyrimidine, 3-(4,6-Dimethoxypyrimidin-2-yl)propionic acid
SBB094624AKOS015852141FS-5336SB57920CS-03274873-(4,6-dimethoxypirimidin-2-yl)propanoic acidF023770
Database identifiers
- CAS
386715-41-9- PubChem CID
- 2736220
- DTXSID
DTXSID30371210- EC Number
- 814-039-3
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 120 · 120~121℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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