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890709-17-8 | tert-Butyl 4-(quinolin-2-yl)piperazine-1-carb...
CAS No: 890709-17-8 Catalog No: AG00IFKK MDL No:MFCD24389548
Product Description
Catalog Number:
AG00IFKK
Chemical Name:
tert-Butyl 4-(quinolin-2-yl)piperazine-1-carb...
CAS Number:
890709-17-8
Molecular Formula:
C18H23N3O2
Molecular Weight:
313.3941
MDL Number:
MFCD24389548
IUPAC Name:
tert-butyl 4-quinolin-2-ylpiperazine-1-carboxylate
InChI:
InChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-12-10-20(11-13-21)16-9-8-14-6-4-5-7-15(14)19-16/h4-9H,10-13H2,1-3H3
InChI Key:
MOGQKMUFSORICV-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc2c(n1)cccc2)OC(C)(C)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.179g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.401g/mol
Monoisotopic Mass:
313.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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