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Home Nitros 1-BOC-4-(5-nitroquinolin-8-yl)piperazine

1-BOC-4-(5-nitroquinolin-8-yl)piperazine

CAS No.:
1133115-74-8
Catalog Number:
AG0090G5
Molecular Formula:
C18H22N4O4
Molecular Weight:
358.3917
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$50
- +
5g
97%
In Stock USA
United States
$150
- +
25g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG0090G5
Chemical Name:
1-BOC-4-(5-nitroquinolin-8-yl)piperazine
CAS Number:
1133115-74-8
Molecular Formula:
C18H22N4O4
Molecular Weight:
358.3917
MDL Number:
MFCD11855892
IUPAC Name:
tert-butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C18H22N4O4/c1-18(2,3)26-17(23)21-11-9-20(10-12-21)15-7-6-14(22(24)25)13-5-4-8-19-16(13)15/h4-8H,9-12H2,1-3H3
InChI Key:
CGGFQFNDYKSSJB-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(c2c1nccc2)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
522  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.164g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.398g/mol
Monoisotopic Mass:
358.164g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties