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728025-72-7 | Adamantan-2-yl-(3-nitro-pyridin-2-yl)-amine
CAS No: 728025-72-7 Catalog No: AG01FB3U MDL No:
Product Description
Catalog Number:
AG01FB3U
Chemical Name:
Adamantan-2-yl-(3-nitro-pyridin-2-yl)-amine
CAS Number:
728025-72-7
Molecular Formula:
C15H19N3O2
Molecular Weight:
273.3303
IUPAC Name:
N-(2-adamantyl)-3-nitropyridin-2-amine
InChI:
InChI=1S/C15H19N3O2/c19-18(20)13-2-1-3-16-15(13)17-14-11-5-9-4-10(7-11)8-12(14)6-9/h1-3,9-12,14H,4-8H2,(H,16,17)
InChI Key:
QNXUKGBGSJXVSK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1NC1C2CC3CC1CC(C2)C3
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.148g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.336g/mol
Monoisotopic Mass:
273.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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