Basic information
- CAS
122349-91-1- Standard SMILES
Cc1cc(C)c2cc(C)c(N)cc2n1- InChIKey
HAADFRCWPFJSDV-UHFFFAOYSA-N- Molecular formula
- C12H14N2
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.11569846
Overview
mutagenic pyrolysate cpd of polyurethane foam; structure given in first source
Names & identifiers
- Preferred name
- 7-Amino-2,4,6-trimethylquinoline
- IUPAC
- 2,4,6-trimethylquinolin-7-amine
- English name
- 7-amino-2,4,6-trimethylquinoline
- Molecular weight
- 0
Names & synonyms
7-Amino-2,4,6-trimethylquinoline122349-91-1U1VJP3YC5G7-Quinolinamine, 2,4,6-trimethyl-DTXSID80153583RefChem:1057767-ATQNDTXCID70760742,4,6-trimethylquinolin-7-amineCCRIS 2833Quinoline, 7-amino-2,4,6-trimethyl-UNII-U1VJP3YC5G
Show more names
AKOS006279004Q63408609
Database identifiers
- CAS
122349-91-1- PubChem CID
- 129703
- DTXSID
DTXSID80153583- UNII
- U1VJP3YC5G
- Nikkaji
- J183.748F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 310.75 °C · 310.75°C (rough estimate)
- Density
- 1.0859 · 1.0859 (rough estimate)
- refractive index
- 1.6648 · 1.6648 (estimate)
- FDA UNII
- 1 VJP3YC5G · U1VJP3YC5G
- Toxicity
- 1 ug/plate · mic-sat 1 ug/plate MUREAV 226,169,1989
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mic-sat 1 ug/plate MUREAV 226,169,1989
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…