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147-47-7 | Quinoline, 1,2-dihydro-2,2,4-trimethyl-
CAS No: 147-47-7 Catalog No: AG00HXJS MDL No:MFCD00044248
Product Description
Catalog Number:
AG00HXJS
Chemical Name:
Quinoline, 1,2-dihydro-2,2,4-trimethyl-
CAS Number:
147-47-7
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD00044248
IUPAC Name:
2,2,4-trimethyl-1H-quinoline
InChI:
InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3
InChI Key:
ZNRLMGFXSPUZNR-UHFFFAOYSA-N
SMILES:
CC1=CC(C)(C)Nc2c1cccc2
UNII:
0553M374Q3
NSC Number:
4175
RTECS Number:
VB4900000
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| The mystery of the discolored flints. New molecules turn prehistoric lithic artifacts blue. | Analytical and bioanalytical chemistry 20110301 |
| Neglected disease - african sleeping sickness: recent synthetic and modeling advances. | Scientia pharmaceutica 20110101 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Antitrypanosomal activity of 1,2-dihydroquinolin-6-ols and their ester derivatives. | Journal of medicinal chemistry 20100211 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| [Teratogenic effect of rubber components]. | Medycyna pracy 20040101 |
| Maternal-fetal distribution and prenatal toxicity of 2,2,4-trimethyl-1,2-dihydroquinoline in the rat. | Birth defects research. Part B, Developmental and reproductive toxicology 20030801 |
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