Basic information
- CAS
64951-07-1- Standard SMILES
CCOC(=O)c1cnc2ncccn12- InChIKey
FGZMTIBNGQUEDE-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947654
Names & identifiers
- Preferred name
- Ethyl imidazo[1,2-a]pyrimidine-3-carboxylate
- IUPAC
- ethyl imidazo[1,2-a]pyrimidine-3-carboxylate
- English name
- Ethyl imidazo[1,2-a]pyrimidine-3-carboxylate
- Molecular formula
- C9H9N3O2
- Molecular weight
- 191.19
Names & synonyms
ethyl imidazo[1,2-a]pyrimidine-3-carboxylate64951-07-1MFCD10698087IMIDAZO[1,2-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTERSCHEMBL1407746DTXSID40315685AKOS005265105AB61244AC-28343TS-00253CS-0094357F14130
Show more names
ethyl imidazo[1,2-a]pyrimidine-7-carboxylateETHYL IMIDAZO[1,2-A]PYRIMIDINE-3-CARBOXYLATE ISO 9001：2015 REACH
EN300-6478104NSC296230AM20120704FT-0698760PCA95107SBB054078STL134940NSC-296230
Database identifiers
- CAS
64951-07-1- PubChem CID
- 326099
- DTXSID
DTXSID40315685- Nikkaji
- J374.506F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 109 · 109-110 °C
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.7 · 2.70±0.30(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C9H9N3O2/c1-2-14-8(13)7-6-11-9-10-4-3-5-12(7)9/h3-6H,2H2,1H3
- InChIKey
- FGZMTIBNGQUEDE-UHFFFAOYSA-N
- SMILES
- C12=NC=C(C(OCC)=O)N1C=CC=N2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- 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.
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers59 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Accendatech Co., Ltd.+undefined+86-13132578992 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
武汉罗化科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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