Home Amines 1105191-23-8
1105191-23-8,MFCD16631744
Catalog No.:AA01AQEV
1105191-23-8 | tert-Butyl 4-(8-amino-5-isoquinolinyl)-1-piperazinecarboxylate
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Technical Information
Catalog Number:
AA01AQEV
Chemical Name:
tert-Butyl 4-(8-amino-5-isoquinolinyl)-1-piperazinecarboxylate
CAS Number:
1105191-23-8
Molecular Formula:
C18H24N4O2
Molecular Weight:
328.4088
MDL Number:
MFCD16631744
IUPAC Name:
tert-butyl 4-(8-aminoisoquinolin-5-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)22-10-8-21(9-11-22)16-5-4-15(19)14-12-20-7-6-13(14)16/h4-7,12H,8-11,19H2,1-3H3
InChI Key:
JHKLYRQPVMQZIM-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(c2c1ccnc2)N)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.19g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
328.416g/mol
Monoisotopic Mass:
328.19g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
tert-Butyl 4-(8-amino-5-isoquinolinyl)-1-piperazinecarboxylate 
1105191-23-8 
F2147-0557 
tert-butyl 4-(8-aminoisoquinolin-5-yl)piperazine-1-carboxylate 
ZINC26423270 
AKOS005206459 
MCULE-9569923179 
VU0494767-1 
L-4686 
Literature
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