Home Nitro Compounds 1017782-79-4
1017782-79-4,MFCD09972251
Catalog No.:AA0005GR
1017782-79-4 | 5-(4-BOC-piperazino)-2-nitroanisole
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Purity
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1g
98%
in stock  
$86.00   $60.00
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5g
98%
in stock  
$258.00   $180.00
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25g
98%
in stock  
$858.00   $600.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0005GR
Chemical Name:
5-(4-BOC-piperazino)-2-nitroanisole
CAS Number:
1017782-79-4
Molecular Formula:
C16H23N3O5
Molecular Weight:
337.3709
MDL Number:
MFCD09972251
IUPAC Name:
tert-butyl 4-(3-methoxy-4-nitrophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H23N3O5/c1-16(2,3)24-15(20)18-9-7-17(8-10-18)12-5-6-13(19(21)22)14(11-12)23-4/h5-6,11H,7-10H2,1-4H3
InChI Key:
ANJMFNJMNNJGRU-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.164g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.376g/mol
Monoisotopic Mass:
337.164g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
1017782-79-4 
5-(4-BOC-piperazino)-2-nitroanisole 
ANW-14528 
MFCD09972251 
ZINC14007315 
AKOS005073603 
MB-0728 
RP16743 
RTR-033821 
AJ-64610 
CJ-14484 
DA-48360 
tert-butyl 4-(3-methoxy-4-nitrophenyl)piperazine-1-carboxylate 
TR-065253 
FT-0764260 
methoxynitrophenyltetrahydropyrazinecarboxylate 
Z6411 
B-6262 
I13-375 
J-524614 
1,1-Dimethylethyl 4-[3-(methyloxy)-4-nitrophenyl]-1-piperazinecarboxylate 
1-dimethylethyl 4-[3-(methyloxy)-4-nitrophenyl]-1-piperazinecarboxylate 
1-Piperazinecarboxylic acid, 4-(3-methoxy-4-nitrophenyl)-, 1,1-dimethylethyl ester 
tert-butyl 4-(3-methoxy-4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarboxylate 
C16H23N3O5 
tert-Butyl4-(3-methoxy-4-nitrophenyl)piperazine-1-carboxylate 
ACMC-2097wy 
SCHEMBL310369 
CTK4A0225 
DTXSID80649774 
ANJMFNJMNNJGRU-UHFFFAOYSA-N 
KS-000027MZ 
Literature
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