Basic information
- CAS
80544-75-8- Standard SMILES
CCC(C#N)(C(N)=O)c1ccccc1- InChIKey
QKSRTQXCXWMMLG-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- Ciobutide
- IUPAC
- 2-cyano-2-phenylbutanamide
- English name
- Rac 2-cyano-2-phenylbutanamide
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
2-cyano-2-phenylbutanamide80544-75-8CiobutideCiobutide [ISO]UNII-E1334R6OMWE1334R6OMWNSC-851662-CYANO-2-PHENYLBUTYRAMIDENSC 85166BUTYRAMIDE, 2-CYANO-2-PHENYL-PRIMIDONE IMPURITY D [EP IMPURITY]2-CYANO-2-ETHYL-2-PHENYLACETAMIDE
Show more names
primidone impurity D(2RS)-2-Cyano-2-phenylbutanamideBenzeneacetamide, α-cyano-α-ethyl-2-Cyano-2-phenyl-butyric Acid AmidePrimidone Impurity 4(Primidone EP Impurity D）
BENZENEACETAMIDE, .ALPHA.-CYANO-.ALPHA.-ETHYL-PRIMIDONE IMPURITY D (EP IMPURITY)RefChem:126302BENZENEACETAMIDE, ALPHA-CYANO-ALPHA-ETHYL-635-960-5rac 2-Cyano-2-phenylbutanamidePrimidone EP Impurity DMFCD00087108
Database identifiers
- CAS
80544-75-8- PubChem CID
- 257232
- DTXSID
DTXSID101024185- UNII
- E1334R6OMW
- EC Number
- 635-960-5
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 112 · 112-113°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 1334 R6OMW · E1334R6OMW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 305 · P305+P351+P338-P280
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P305+P351+P338-P280
Chemistry & industry
Applications
DescriptionCiobutide is a largely obsolete plant growth regulator although there is some evidence it is still used in some nations. The substance does not appear to have been extensively studied and so limited data is available for its environmental fate, ecotoxicity or effects on human health.
UsesAn impurity arising in the synthesis of primidone. Impurity D.
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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