Basic information
- CAS
69847-28-5- Standard SMILES
[C-]#[N+]c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C- InChIKey
JTBCCXURHCRKGM-UHFFFAOYSA-N- Molecular formula
- C19H29N
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.22999993
Names & identifiers
- Preferred name
- Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano-
- IUPAC
- 1,3,5-tritert-butyl-2-isocyanobenzene
Names & synonyms
69847-28-5DTXSID20347368Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano-RefChem:323345DTXCID002984401,3,5-TRI-TERT-BUTYL-2-ISOCYANOBENZENESCHEMBL29807620
Database identifiers
- CAS
69847-28-5- PubChem CID
- 620653
- DTXSID
DTXSID20347368- Nikkaji
- J344.293D
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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