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Home Carboxys tert-butyl 4-cyano-4-((4-nitrophenyl)amino)piperidine-1-carboxylate

tert-butyl 4-cyano-4-((4-nitrophenyl)amino)piperidine-1-carboxylate

CAS No.:
1815591-68-4
Catalog Number:
AG01DUOC
Molecular Formula:
C17H22N4O4
Molecular Weight:
346.3810
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$32
- +
1g
95%
In Stock USA
United States
$61
- +
5g
95%
In Stock USA
United States
$181
- +
Product Description
Catalog Number:
AG01DUOC
Chemical Name:
tert-butyl 4-cyano-4-((4-nitrophenyl)amino)piperidine-1-carboxylate
CAS Number:
1815591-68-4
Molecular Formula:
C17H22N4O4
Molecular Weight:
346.3810
MDL Number:
MFCD31652346
IUPAC Name:
tert-butyl 4-cyano-4-(4-nitroanilino)piperidine-1-carboxylate
InChI:
InChI=1S/C17H22N4O4/c1-16(2,3)25-15(22)20-10-8-17(12-18,9-11-20)19-13-4-6-14(7-5-13)21(23)24/h4-7,19H,8-11H2,1-3H3
InChI Key:
HSIIXVXTSGPOEL-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)C(=O)OC(C)(C)C)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
541  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.164g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
346.387g/mol
Monoisotopic Mass:
346.164g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties