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Basic information
- CAS
822-90-2- Standard SMILES
Cc1nc(C)c(C)[nH]1- InChIKey
PTBPTNCGZUOCBK-UHFFFAOYSA-N- Molecular formula
- C6H10N2
- Average molar mass
- 110.16 g/mol
- Monoisotopic mass
- 110.08439833
Names & identifiers
- Preferred name
- 2,4,5-Trimethylimidazole
- IUPAC
- 2,4,5-trimethyl-1H-imidazole
- English name
- 2,4,5-trimethyl-1H-imidazole
- Molecular formula
- C6H10N2
- Molecular weight
- 110.16
Names & synonyms
822-90-22,4,5-TrimethylimidazoleR42O298O4WDTXSID30231623RefChem:82050DTXCID601541142,4,5-TMI212-507-62,4,5-Trimethyl-1H-imidazole1H-Imidazole,2,4,5-trimethyl-1H-Imidazole, 2,4,5-trimethyl-EINECS 212-507-6
Show more names
SCHEMBL64073UNII-R42O298O4W2,4,5-trimethyl-1H-imidazolimidazole, 2,4,5-trimethyl-SCHEMBL3395410SCHEMBL5602510SCHEMBL89259562,4,5-Trimethyl-1H-imidazole #
Database identifiers
- CAS
822-90-2- PubChem CID
- 69976
- DTXSID
DTXSID30231623- UNII
- R42O298O4W
- EC Number
- 212-507-6
- Nikkaji
- J195.074F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82
Physicochemical properties
- Melting point
- 163 ℃ · 163℃
- Boiling point
- 292 ℃ · 292℃
- Density
- 1.003 · 1.003
- Flash point
- 150 ℃ · 150℃
- pka
- 15.81 · 15.81±0.10(Predicted)
- FDA UNII
- 42 O298O4W · R42O298O4W
Chemistry & industry
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
台州盛泉医药科技有限公司（原台州昌源）15005869072 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
5 records
Compound notes
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