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Home Carboxys Isobutyl 1,2-dihydro-2-isobutoxy-1-quinoline-carboxylate

Isobutyl 1,2-dihydro-2-isobutoxy-1-quinoline-carboxylate

CAS No.:
38428-14-7
Catalog Number:
AG00351L
Molecular Formula:
C18H25NO3
Molecular Weight:
303.3960
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$37
- +
10g
98%
In Stock USA
United States
$63
- +
25g
98%
In Stock USA
United States
$138
- +
100g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00351L
Chemical Name:
Isobutyl 1,2-dihydro-2-isobutoxy-1-quinoline-carboxylate
CAS Number:
38428-14-7
Molecular Formula:
C18H25NO3
Molecular Weight:
303.3960
MDL Number:
MFCD00006702
IUPAC Name:
2-methylpropyl 2-(2-methylpropoxy)-2H-quinoline-1-carboxylate
InChI:
InChI=1S/C18H25NO3/c1-13(2)11-21-17-10-9-15-7-5-6-8-16(15)19(17)18(20)22-12-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3
InChI Key:
LPBHYOYZZIFCQT-UHFFFAOYSA-N
SMILES:
CC(COC(=O)N1C(OCC(C)C)C=Cc2c1cccc2)C
EC Number:
253-925-9
NSC Number:
332545
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.183g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.402g/mol
Monoisotopic Mass:
303.183g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Use of polystyrene-supported 2-isobutoxy-1-isobutoxycarbonyl-1,2-dihydroquinoline for the preparation of a hapten-protein conjugate for antibody development. Bioorganic & medicinal chemistry letters 20100301
Properties