Basic information
- CAS
1003577-82-9- Standard SMILES
COC(=O)c1ccc2nc(C(C)(C)C)cn2c1- InChIKey
QVMQFTWQKYSLPK-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- Methyl 2-tert-butylimidazo[1,2-a]pyridine-6-carboxylate
- IUPAC
- methyl 2-tert-butylimidazo[1,2-a]pyridine-6-carboxylate
- English name
- Methyl 2-tert-butylimidazo-[1,2-a]pyridine-6-carboxylate
- Molecular formula
- C13H16N2O2
- Molecular weight
- 232.28
Names & synonyms
methyl 2-tert-butylimidazo[1,2-a]pyridine-6-carboxylate1003577-82-9Methyl 2-(tert-butyl)imidazo[1,2-a]pyridine-6-carboxylateMFCD28103336SCHEMBL408219QVMQFTWQKYSLPK-UHFFFAOYSA-NAKOS030234261AS-8993CS-0439655methyl2-tert-butylimidazo[1,2-a]pyridine-6-carboxylateMethyl 2-tert-butylimidazo-[1,2-a]pyridine-6-carboxylateImidazo[1,2-a]pyridine-6-carboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester
Database identifiers
- CAS
1003577-82-9- PubChem CID
- 57963684
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 6.59 · 6.59±0.50(Predicted)
- HS Code
- 2918199890 · 2918199890
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
- 2918199890
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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