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Home > Nitro Compounds > 1197156-35-6
1197156-35-6 | tert-Butyl 1-(2-nitrobenzyl)piperidin-4-ylcarbamate
CAS No: 1197156-35-6 Catalog No: AG01F8OP MDL No:
Product Description
Catalog Number:
AG01F8OP
Chemical Name:
tert-Butyl 1-(2-nitrobenzyl)piperidin-4-ylcarbamate
CAS Number:
1197156-35-6
Molecular Formula:
C17H25N3O4
Molecular Weight:
335.3981
IUPAC Name:
tert-butyl N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C17H25N3O4/c1-17(2,3)24-16(21)18-14-8-10-19(11-9-14)12-13-6-4-5-7-15(13)20(22)23/h4-7,14H,8-12H2,1-3H3,(H,18,21)
InChI Key:
HIXPBNNVJPCMSF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.185g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.404g/mol
Monoisotopic Mass:
335.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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