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Home Carboxys tert-Butyl 4-(2-nitrophenylamino)piperidine-1-carboxylate

tert-Butyl 4-(2-nitrophenylamino)piperidine-1-carboxylate

CAS No.:
87120-73-8
Catalog Number:
AG00IED1
Molecular Formula:
C16H23N3O4
Molecular Weight:
321.3715
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$113
- +
5g
97%
In Stock USA
United States
$363
- +
Product Description
Catalog Number:
AG00IED1
Chemical Name:
tert-Butyl 4-(2-nitrophenylamino)piperidine-1-carboxylate
CAS Number:
87120-73-8
Molecular Formula:
C16H23N3O4
Molecular Weight:
321.3715
MDL Number:
MFCD11849749
IUPAC Name:
tert-butyl 4-(2-nitroanilino)piperidine-1-carboxylate
InChI:
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)18-10-8-12(9-11-18)17-13-6-4-5-7-14(13)19(21)22/h4-7,12,17H,8-11H2,1-3H3
InChI Key:
FOMQBPGBFQWLBY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Nc1ccccc1[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.169g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.377g/mol
Monoisotopic Mass:
321.169g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties