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Home > Nitro Compounds > 188604-99-1
188604-99-1 | 2-(4-methylpiperidin-1-yl)-5-nitroaniline
CAS No: 188604-99-1 Catalog No: AG01DD12 MDL No:
Product Description
Catalog Number:
AG01DD12
Chemical Name:
2-(4-methylpiperidin-1-yl)-5-nitroaniline
CAS Number:
188604-99-1
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
IUPAC Name:
2-(4-methylpiperidin-1-yl)-5-nitroaniline
InChI:
InChI=1S/C12H17N3O2/c1-9-4-6-14(7-5-9)12-3-2-10(15(16)17)8-11(12)13/h2-3,8-9H,4-7,13H2,1H3
InChI Key:
HRGLDICANUYMDA-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(cc1N)[N+](=O)[O-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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