Basic information
- CAS
99840-52-5- Standard SMILES
CC(C)(C#N)CCc1ccccn1- InChIKey
KNNNPTQAGIDRRA-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Names & identifiers
- Preferred name
- 2,2-Dimethyl-4-(pyridin-2-yl)butanenitrile
- IUPAC
- 2,2-dimethyl-4-pyridin-2-ylbutanenitrile
Names & synonyms
NSC803402,2-dimethyl-4-(pyridin-2-yl)butanenitrileSCHEMBL9549347DTXSID601290545NSC-8034099840-52-5I+/-,I+/--Dimethyl-2-pyridinebutanenitrile
Database identifiers
- CAS
99840-52-5- PubChem CID
- 255103
- DTXSID
DTXSID601290545
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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