Basic information
- CAS
18999-48-9- Standard SMILES
CCOC(=O)CCn1ccnc1C- InChIKey
ZWDNBRFFSIJPGQ-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- ethyl 3-(2-methyl-1H-imidazol-1-yl)propanoate
- IUPAC
- ethyl 3-(2-methylimidazol-1-yl)propanoate
- English name
- ETHYL 3-(2-METHYL-1H-IMIDAZOL-1-YL)PROPANOATE
- Molecular formula
- C9H14N2O2
- Molecular weight
- 182.22
Names & synonyms
ethyl 3-(2-methyl-1H-imidazol-1-yl)propanoate18999-48-9DTXSID40377420RefChem:343137DTXCID50328448ethyl 3-(2-methylimidazol-1-yl)propanoateMFCD02602292ethyl3-(2-methyl-1H-imidazol-1-yl)propanoate1H-Imidazole-1-propanoic acid, 2-methyl-, ethyl esterSCHEMBL2970107SCHEMBL5982671ZWDNBRFFSIJPGQ-UHFFFAOYSA-N
Show more names
SBB089921AKOS0050711228H-348Sethyl 3-(2-methylimidazolyl)propanoateSY333471DB-342941ethyl 3-(2-methyl-1-imidazolyl)propionateCS-0449404
Database identifiers
- CAS
18999-48-9- PubChem CID
- 2764366
- DTXSID
DTXSID40377420
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 62 °C · 62°C
- Boiling point
- 125 °C · 125°C 0,4mm
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.54 · 7.54±0.31(Predicted)
- HazardClass
- IRRITANT
- HS Code
- 2933299090 · 2933299090
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
- 2933299090
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
2 records
Compound notes
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