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Home > Nitro Compounds > 84979-31-7
84979-31-7 | 3-Nitro-4-(4-methylpiperidine-1-yl)aniline
CAS No: 84979-31-7 Catalog No: AG01EXRX MDL No:
Product Description
Catalog Number:
AG01EXRX
Chemical Name:
3-Nitro-4-(4-methylpiperidine-1-yl)aniline
CAS Number:
84979-31-7
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
IUPAC Name:
4-(4-methylpiperidin-1-yl)-3-nitroaniline
InChI:
InChI=1S/C12H17N3O2/c1-9-4-6-14(7-5-9)11-3-2-10(13)8-12(11)15(16)17/h2-3,8-9H,4-7,13H2,1H3
InChI Key:
RYJMBZUFGDTYHS-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])N
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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