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89154-02-9 | Methanone, [2-[(3-aminopropyl)(3-nitro-2-pyridinyl)amino]phenyl]phenyl-
CAS No: 89154-02-9 Catalog No: AG003WYZ MDL No:
Product Description
Catalog Number:
AG003WYZ
Chemical Name:
Methanone, [2-[(3-aminopropyl)(3-nitro-2-pyridinyl)amino]phenyl]phenyl-
CAS Number:
89154-02-9
Molecular Formula:
C21H20N4O3
Molecular Weight:
376.4085
IUPAC Name:
[2-[3-aminopropyl-(3-nitropyridin-2-yl)amino]phenyl]-phenylmethanone
InChI:
InChI=1S/C21H20N4O3/c22-13-7-15-24(21-19(25(27)28)12-6-14-23-21)18-11-5-4-10-17(18)20(26)16-8-2-1-3-9-16/h1-6,8-12,14H,7,13,15,22H2
InChI Key:
GDBYUKYYKHXIQF-UHFFFAOYSA-N
SMILES:
NCCCN(c1ncccc1[N+](=O)[O-])c1ccccc1C(=O)c1ccccc1
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.154g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.416g/mol
Monoisotopic Mass:
376.154g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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