Nsc99238
Basic information
- CAS
2941-36-8- Standard SMILES
CC(C)(C#N)CCCC(C)(C)C#N- InChIKey
HLHZNKFMAKWWSK-UHFFFAOYSA-N- Molecular formula
- C11H18N2
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.14699858
Names & identifiers
- Preferred name
- Nsc99238
- IUPAC
- 2,2,6,6-tetramethylheptanedinitrile
- English name
- Heptanedinitrile, 2,2,6,6-tetramethyl-
- Molecular formula
- C11H18N2
- Molecular weight
- 178.27402
Names & synonyms
2941-36-8NSC99238DTXSID702950072,6-DIMETHYL-2,6-HEPTANEDICARBONITRILERefChem:854936DTXCID20246145661-910-72,2,6,6-tetramethylheptanedinitrileSCHEMBL8763241NSC-99238AKOS024339959Heptanedinitrile, 2,2,6,6-tetramethyl-
Database identifiers
- CAS
2941-36-8- PubChem CID
- 264238
- DTXSID
DTXSID70295007- EC Number
- 661-910-7
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · 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, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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