Basic information
- CAS
338793-72-9- Standard SMILES
CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(N)n1- InChIKey
WISJGGNIPNAXTN-UHFFFAOYSA-N- Molecular formula
- C16H17N3
- Average molar mass
- 251.33 g/mol
- Monoisotopic mass
- 251.14224756
Names & identifiers
- Preferred name
- 2-Amino-6-tert-butyl-4-phenylpyridine-3-carbonitrile
- IUPAC
- 2-amino-6-tert-butyl-4-phenylpyridine-3-carbonitrile
- English name
- 2-Amino-6-(tert-butyl)-4-phenylnicotinonitrile
- Molecular formula
- C16H17N3
- Molecular weight
- 251.33
Names & synonyms
338793-72-92-amino-6-tert-butyl-4-phenylpyridine-3-carbonitrile2-amino-6-(tert-butyl)-4-phenylnicotinonitrileHMS1584L22Cambridge id 5925104Oprea1_567626DTXSID70358101AKOS0050974556H-311SDB-269637AB00100992-012-AMINO-6-TERT-BUTYL-4-PHENYLNICOTINONITRILE
Show more names
CHEMBRDG-BB 59251043-Pyridinecarbonitrile, 2-amino-6-(1,1-dimethylethyl)-4-phenyl-
Database identifiers
- CAS
338793-72-9- PubChem CID
- 877346
- DTXSID
DTXSID70358101- Nikkaji
- J3.580.079D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Boiling point
- 431.4 · 431.4±45.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 3.09 · 3.09±0.50(Predicted)
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
CHEMBRDG-BB[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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