2,5,7-Trimethylquinoline - CAS 102871-67-0
Catalog: |
BB000962 |
Product Name: |
2,5,7-Trimethylquinoline |
CAS: |
102871-67-0 |
Synonyms: |
2,5,7-trimethylquinoline |
IUPAC Name: | 2,5,7-trimethylquinoline |
Description: | 2,5,7-Trimethylquinoline (CAS# 102871-67-0) is a useful research chemical. |
Molecular Weight: | 171.24 |
Molecular Formula: | C12H13N |
Canonical SMILES: | CC1=NC2=CC(=CC(=C2C=C1)C)C |
InChI: | InChI=1S/C12H13N/c1-8-6-9(2)11-5-4-10(3)13-12(11)7-8/h4-7H,1-3H3 |
InChI Key: | KUDYKIJCJSRIBX-UHFFFAOYSA-N |
Boiling Point: | 281.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.034 g/cm3 |
LogP: | 3.16000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110105355-A | A kind of preparation method of 1,2,3- triazole-[1,5-a] and quinolines | 20190524 |
CN-110105355-B | Preparation method of 1,2, 3-triazole- [1,5-a ] quinoline compound | 20190524 |
CN-109369520-A | A kind of novel dinitro quinolines and its preparation method and application | 20180914 |
CN-106543078-A | A kind of preparation method of quinoline | 20160721 |
CN-106543078-B | A kind of preparation method of quinoline | 20160721 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.104799419 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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