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820233-02-1 | 1-Naphthalenamine, N,N-dimethyl-4-(2-nitro-1-phenylethyl)-
CAS No: 820233-02-1 Catalog No: AG005D9O MDL No:
Product Description
Catalog Number:
AG005D9O
Chemical Name:
1-Naphthalenamine, N,N-dimethyl-4-(2-nitro-1-phenylethyl)-
CAS Number:
820233-02-1
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
IUPAC Name:
N,N-dimethyl-4-(2-nitro-1-phenylethyl)naphthalen-1-amine
InChI:
InChI=1S/C20H20N2O2/c1-21(2)20-13-12-17(16-10-6-7-11-18(16)20)19(14-22(23)24)15-8-4-3-5-9-15/h3-13,19H,14H2,1-2H3
InChI Key:
YJNMKFXISFMYFG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1ccc(c2c1cccc2)N(C)C)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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