Basic information
- CAS
41781-05-9- Standard SMILES
CC(C)(C#N)C1CCCCC1- InChIKey
WSFMYWWIDQSYLI-UHFFFAOYSA-N- Molecular formula
- C10H17N
- Average molar mass
- 151.25 g/mol
- Monoisotopic mass
- 151.13609955
Names & identifiers
- Preferred name
- 2-Cyclohexyl-2-methylpropionitrile
- IUPAC
- 2-cyclohexyl-2-methylpropanenitrile
- English name
- 2-cyclohexyl-2-methylpropanenitrile
- Molecular formula
- C10H17N
- Molecular weight
- 151.24868
Names & synonyms
2-CYCLOHEXYL-2-METHYLPROPIONITRILERefChem:470929636-991-72-cyclohexyl-2-methylpropanenitrile41781-05-9SCHEMBL1235905DTXSID903993142-cyclohexyl-2-methyl-propionitrileAKOS022634740EN300-127007F8880-0011Z1255487190
Database identifiers
- CAS
41781-05-9- PubChem CID
- 4100757
- DTXSID
DTXSID90399314- EC Number
- 636-991-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H400
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H301-H400
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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