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NSC128168,NSC191304,N,N-Dimethyl(4-nitrophenyl)methanamine,Benzenemeth

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摘 要:NSC128168,NSC191304,N,N-Dimethyl(4-nitrophenyl)methanamine,Benzenemethanamine, N,N-dimethyl-4-nitro-,15184-96-0, N,N-dimethyl-1-(4-nitrophenyl)methanamine,Canonical SMILES: CN(C)CC1=CC=C(C=C1)[N+](=O)[O-],InChI: InChI=1/C9H12N2O2/c1-10(2)7-8-3-5-9(6-
[Synonyms]
NSC128168
NSC191304
N,N-Dimethyl(4-nitrophenyl)methanamine
Benzenemethanamine, N,N-dimethyl-4-nitro-
15184-96-0

[Structure]
NSC128168,NSC191304,N,N-Dimethyl(4-nitrophenyl)methanamine,Benzenemeth

[ Properties Computed from Structure]
Molecular Weight180.20378 [g/mol]
Molecular FormulaC9H12N2O2
XLogP1.7
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count2
Exact Mass180.089878
MonoIsotopic Mass180.089878
Topological Polar Surface Area46.4
Heavy Atom Count13
Formal Charge0
Complexity169
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N,N-dimethyl-1-(4-nitrophenyl)methanamine
Canonical SMILES: CN(C)CC1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1/C9H12N2O2/c1-10(2)7-8-3-5-9(6-4-8)11(12)13/h3-6H,7H2,1-2H3

 
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