Isobutyl isocyanide
Basic information
- CAS
590-94-3- Standard SMILES
[C-]#[N+]CC(C)C- InChIKey
SSWVVEYZXQCZNK-UHFFFAOYSA-N- Molecular formula
- C5H9N
- Average molar mass
- 83.13 g/mol
- Monoisotopic mass
- 83.07349929
Names & identifiers
- Preferred name
- Isobutyl isocyanide
- IUPAC
- 1-isocyano-2-methylpropane
- English name
- Propane, 1-isocyano-2-methyl-
- Molecular formula
- C5H9N
- Molecular weight
- 83.13166
Names & synonyms
Isobutyl isocyanide590-94-3Propane, 1-isocyano-2-methyl-DTXSID70207741RefChem:349560DTXCID201302321-isocyano-2-methylpropaneisobutyl isonitrileSCHEMBL1845741SCHEMBL5634266AKOS023200041GS-0356
Show more names
NS00044797EN300-748823
Database identifiers
- CAS
590-94-3- PubChem CID
- 3045270
- DTXSID
DTXSID70207741- Nikkaji
- J95.613I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 65.3
Physicochemical properties
- Boiling point
- 117.25 °C · 117.25°C (estimate)
- Density
- 0.7607 · 0.7607
- refractive index
- 1.3871 · 1.3871
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…