Basic information
- CAS
56340-88-6- Standard SMILES
CC(C)(C)[NH2+]CC(O)c1cc(C#N)c(N)c(C#N)c1.[Cl-]- InChIKey
OMDDZLHQQVNNRL-UHFFFAOYSA-N- Molecular formula
- C14H19ClN4O
- Average molar mass
- 294.78 g/mol
- Monoisotopic mass
- 294.1247389
Names & identifiers
- Preferred name
- Isophthalonitrile, 2-amino-5-(2-(tert-butylamino)-1-hydroxyethyl)-, hydrochloride
- IUPAC
- [2-(4-amino-3,5-dicyanophenyl)-2-hydroxyethyl]-tert-butylazanium chloride
Names & synonyms
Isophthalonitrile, 2-amino-5-(2-(tert-butylamino)-1-hydroxyethyl)-, hydrochloride2-Amino-5-(2-(tert-butylamino)-1-hydroxyethyl)isophthalonitrile hydrochloride1,3-Benzenedicarbonitrile, 2-amino-5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, HCl56340-88-6RefChem:349795
Database identifiers
- CAS
56340-88-6- PubChem CID
- 41849
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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