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Home > Nitro Compounds > 15982-43-1
15982-43-1 | 1(4H)-Naphthalenone, 4,4-dimethyl-2-[(3-nitrophenyl)-1-piperidinylmethyl]-
CAS No: 15982-43-1 Catalog No: AG001REY MDL No:
Product Description
Catalog Number:
AG001REY
Chemical Name:
1(4H)-Naphthalenone, 4,4-dimethyl-2-[(3-nitrophenyl)-1-piperidinylmethyl]-
CAS Number:
15982-43-1
Molecular Formula:
C24H26N2O3
Molecular Weight:
390.4748
IUPAC Name:
4,4-dimethyl-2-[(3-nitrophenyl)-piperidin-1-ylmethyl]naphthalen-1-one
InChI:
InChI=1S/C24H26N2O3/c1-24(2)16-20(23(27)19-11-4-5-12-21(19)24)22(25-13-6-3-7-14-25)17-9-8-10-18(15-17)26(28)29/h4-5,8-12,15-16,22H,3,6-7,13-14H2,1-2H3
InChI Key:
XECQFPXFFZRZDV-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(c2c1cccc2)(C)C)C(c1cccc(c1)[N+](=O)[O-])N1CCCCC1
NSC Number:
120296
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.194g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.483g/mol
Monoisotopic Mass:
390.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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