4-Hydroxy-8-methyl-2-propylquinoline - CAS 1070879-87-6
Catalog: |
BB001977 |
Product Name: |
4-Hydroxy-8-methyl-2-propylquinoline |
CAS: |
1070879-87-6 |
Synonyms: |
8-methyl-2-propyl-1H-quinolin-4-one |
IUPAC Name: | 8-methyl-2-propyl-1H-quinolin-4-one |
Description: | 4-Hydroxy-8-methyl-2-propylquinoline (CAS# 1070879-87-6) is a useful research chemical. |
Molecular Weight: | 201.26 |
Molecular Formula: | C13H15NO |
Canonical SMILES: | CCCC1=CC(=O)C2=C(N1)C(=CC=C2)C |
InChI: | InChI=1S/C13H15NO/c1-3-5-10-8-12(15)11-7-4-6-9(2)13(11)14-10/h4,6-8H,3,5H2,1-2H3,(H,14,15) |
InChI Key: | LBIWAWKGQRGEIB-UHFFFAOYSA-N |
LogP: | 3.20130 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 |
Signal Word: | Danger |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.115364102 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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