Basic information
- CAS
22493-94-3- Standard SMILES
CC(C)(C)c1ccc2ccccc2n1- InChIKey
PYCYTTRLLIKJBU-UHFFFAOYSA-N- Molecular formula
- C13H15N
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.12044948
Names & identifiers
- Preferred name
- 2-tert-Butylquinoline
- IUPAC
- 2-tert-butylquinoline
Names & synonyms
2-tert-Butylquinoline22493-94-3Quinoline, 2-tert-butyl-DTXSID70344625RefChem:267178DTXCID30295700PYCYTTRLLIKJBU-UHFFFAOYSA-N2-t-butylquinoline2-tert-Butylquinoline #SCHEMBL762342SCHEMBL9870698SCHEMBL10773584
Show more names
SCHEMBL30824476AKOS006321346DB-116903DB-310475NS00052889
Database identifiers
- CAS
22493-94-3- PubChem CID
- 598409
- DTXSID
DTXSID70344625- Nikkaji
- J247.551K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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