Basic information
- CAS
57610-38-5- Standard SMILES
CCc1nc(C#N)c(C#N)[nH]1- InChIKey
JBGUQPNUGTYMCR-UHFFFAOYSA-N- Molecular formula
- C7H6N4
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.05924619
Names & identifiers
- Preferred name
- 2-ethyl-1H-imidazole-4,5-dicarbonitrile
- IUPAC
- 2-ethyl-1H-imidazole-4,5-dicarbonitrile
- English name
- 2-Ethyl-1H-imidazole-4,5-dicarbonitrile
- Molecular formula
- C7H6N4
- Molecular weight
- 146.15
Names & synonyms
2-ethyl-1H-imidazole-4,5-dicarbonitrile57610-38-5DTXSID40413973RefChem:260452DTXCID30364824MFCD064961232-ethylimidazole-4,5-dicarbonitrileMLS000763535SCHEMBL6267292CHEMBL1379633JBGUQPNUGTYMCR-UHFFFAOYSA-NHMS2721E11
Show more names
1H-Imidazole-4,5-dicarbonitrile, 2-ethyl-
SBB086485AKOS005069662SMR000336872CS-0296745EN300-77566H52518F70966812X-0843
Database identifiers
- CAS
57610-38-5- PubChem CID
- 5260593
- DTXSID
DTXSID40413973- ChEMBL
CHEMBL1379633- Nikkaji
- J2.473.757H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
Solubility>21.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 172 · 172-175°
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers14 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海锋曼生物医药科技有限公司18949985122 18949985122 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
上海博拓生物科技有限公司16621358918 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
2 records
Compound notes
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