CAS 20364-31-2 | Quinoline, 1,2,3,4-tetrahydro-4,4-dimethyl- | CAS Number 20364-31-2

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20364-31-2 | Quinoline, 1,2,3,4-tetrahydro-4,4-dimethyl-

CAS No: 20364-31-2 Catalog No: AG00291S MDL No:MFCD11847806

Product Description

Catalog Number:

AG00291S

Chemical Name:

Quinoline, 1,2,3,4-tetrahydro-4,4-dimethyl-

CAS Number:

20364-31-2

Molecular Formula:

C11H15N

Molecular Weight:

161.2435

MDL Number:

MFCD11847806

IUPAC Name:

4,4-dimethyl-2,3-dihydro-1H-quinoline

InChI:

InChI=1S/C11H15N/c1-11(2)7-8-12-10-6-4-3-5-9(10)11/h3-6,12H,7-8H2,1-2H3

InChI Key:

WDLBKPHWHMIYNG-UHFFFAOYSA-N

SMILES:

CC1(C)CCNc2c1cccc2

Properties

Complexity:

162

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

161.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

161.248g/mol

Monoisotopic Mass:

161.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
α-Lithiation and electrophilic substitution of 1,4,4-trimethyl-3,4-dihydroquinolin-2-one.	Molecules (Basel, Switzerland) 20101029
4,4-Dimethyl-1,2,3,4-tetrahydroquinoline-based PPARalpha/gamma agonists. Part. II: Synthesis and pharmacological evaluation of oxime and acidic head group structural variations.	Bioorganic & medicinal chemistry letters 20090515
4,4-Dimethyl-1,2,3,4-tetrahydroquinoline-based PPARalpha/gamma agonists. Part I: synthesis and pharmacological evaluation.	Bioorganic & medicinal chemistry letters 20080301