Basic information
- CAS
78892-68-9- Standard SMILES
COC(=O)c1nc[nH]c1C- InChIKey
IDGRFJQRPSMHHP-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Names & identifiers
- Preferred name
- Methyl 5-methyl-1H-imidazole-4-carboxylate
- IUPAC
- methyl 5-methyl-1H-imidazole-4-carboxylate
- English name
- 1H-Imidazole-4-carboxylicacid,5-methyl-,methylester(9CI)
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
78892-68-9Methyl 5-methyl-1H-imidazole-4-carboxylateDTXSID80343144RefChem:356134DTXCID40294224methyl 4-methyl-1H-imidazole-5-carboxylateMFCD062037371H-Imidazole-5-carboxylicacid, 4-methyl-, methyl ester1H-imidazole-5-carboxylic acid, 4-methyl-, methyl ester4-methyl-1H-Imidazole-5-carboxylic acid methyl esterSCHEMBL4605287SCHEMBL10552507
Show more names
Methyl 5(4)-methylimidazole-4(5)-carboxylate1H-Imidazole-4-carboxylicacid,5-methyl-,methylester5-methyl-1H-imidazole-4-carboxylic acid methyl ester1H-Imidazole-4-carboxylicacid,5-methyl-,methylester(9CI)
ALBB-017813AKOS006350464AKOS015959920AB66528LS-05898SY086714methyl4-methyl-1H-imidazole-5-carboxylateDB-075525
Database identifiers
- CAS
78892-68-9- PubChem CID
- 587740
- DTXSID
DTXSID80343144
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 317.2 · 317.2±22.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 11.32 · 11.32±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
希仕化工科技(上海)有限公司021-60499358 13661956116 · [email protected]
上海相辉医药科技有限公司[email protected]
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
南京利孚达医药科技有限公司18951933883 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Compound notes
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