Basic information
- CAS
62306-08-5- Standard SMILES
CCn1c(C)nc2cc(C#N)ccc21- InChIKey
CRSLXELXHYBDGN-UHFFFAOYSA-N- Molecular formula
- C11H11N3
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.09529735
Names & identifiers
- Preferred name
- 1-Ethyl-2-methyl-1H-benzimidazole-5-carbonitrile
- IUPAC
- 1-ethyl-2-methylbenzimidazole-5-carbonitrile
- English name
- 1-ETHYL-2-METHYL-5-CYANOBENZIMIDAZOLE
- Molecular formula
- C11H11N3
- Molecular weight
- 185.23
Names & synonyms
62306-08-51-ethyl-2-methyl-1H-benzimidazole-5-carbonitrileDTXSID10352289RefChem:230250DTXCID303033541-ethyl-2-methyl-5-cyanobenzimidazole1-Ethyl-2-methyl-1,3-benzodiazole-5-carbonitrile1-Ethyl-2-methyl-1H-benzo[d]imidazole-5-carbonitrile1-ethyl-2-methylbenzimidazole-5-carbonitrileMFCD00085879MLS001007461CHEMBL1424499
Show more names
5-Cyano-1-ethyl-2-MethylbenziMidazole1H-Benzimidazole-5-carbonitrile, 1-ethyl-2-methyl-1H-Benzimidazole-5-carbonitrile,1-ethyl-2-methyl-(9CI)
SCHEMBL28971006CRSLXELXHYBDGN-UHFFFAOYSA-NHMS1727A04HMS2726A10STK327682AKOS0010736411-ethyl-2-methyl-5-cyano-benzimidazoleBS-29068
Database identifiers
- CAS
62306-08-5- PubChem CID
- 722385
- DTXSID
DTXSID10352289- ChEMBL
CHEMBL1424499
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
Solubility>27.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 162 °C · 162 °C
- Boiling point
- 200 °C · 200 °C(Press: 0.02 Torr)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 4.97 · 4.97±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
盐城奥科联合医药科技有限公司0515-89701588 13770166955 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
ORGANICA+49 3494636389 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
3 records
Compound notes
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