1-Methyl-1,2,3,4-tetrahydroquinolin-4-one - CAS 1198-15-8
Catalog: |
BB072831 |
Product Name: |
1-Methyl-1,2,3,4-tetrahydroquinolin-4-one |
CAS: |
1198-15-8 |
Synonyms: |
1-methyl-1,2,3,4-tetrahydroquinolin-4-one; 1-methyl-2,3-dihydroquinolin-4(1h)-one; 1-methyl-2,3-dihydroquinolin-4-one; 1-methyl-2,3-dihydro-4(1h)-quinolinone; 2,3-dihydro-1-methyl-4(1H)-quinolinone; 1-methyldihydroquinolin-4-one |
IUPAC Name: | 1-methyl-2,3-dihydroquinolin-4-one |
Molecular Weight: | 161.2 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | CN1CCC(=O)C2=CC=CC=C21 |
InChI: | InChI=1S/C10H11NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3 |
InChI Key: | PFRCTAQFFQYTKL-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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