2,3,4-Trimethylquinoline
Basic information
- CAS
2437-72-1- Standard SMILES
Cc1nc2ccccc2c(C)c1C- InChIKey
VBCFHWSPNHEYGE-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Names & identifiers
- Preferred name
- 2,3,4-Trimethylquinoline
- IUPAC
- 2,3,4-trimethylquinoline
- English name
- 2,3,4-trimethylquinoline
- Molecular formula
- C12H13N
- Molecular weight
- 171.24
Names & synonyms
2,3,4-TRIMETHYLQUINOLINE2437-72-151366-52-0TRIMETHYLQUINOLINEQuinoline, 2,3,4-trimethyl-UNII-7HLP41FH327HLP41FH32DTXSID10947230RefChem:81343DTXCID30933978InChI=1/C12H13N/c1-8-9(2)11-6-4-5-7-12(11)13-10(8)3/h4-7H,1-3HVBCFHWSPNHEYGE-UHFFFAOYSA-N
Show more names
F2124-0969SCHEMBL231530SCHEMBL1069166SCHEMBL3966414SCHEMBL5510470NISTC2437721SMSSF-0045182CAA43772
Database identifiers
- CAS
2437-72-1、51366-52-0- PubChem CID
- 17096
- DTXSID
DTXSID10947230- UNII
- 7HLP41FH32
- Nikkaji
- J113.577E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- FDA UNII
- 7 HLP41FH32 · 7HLP41FH32
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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