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2-Nitrophenyl Diphenylamine

CAT: 0572-TRC-N503397-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N503397-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53013-38-0
Hazard Statement
Causes serious eye irritation.
Smiles
[O-][N+](=O)c1ccccc1N(c2ccccc2)c3ccccc3
Molecular Formula
C18 H14 N2 O2
Molecular Weight
290.32
InChI
InChI=1S/C18H14N2O2/c21-20(22)18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
Additionnal Information
IUPAC name: 2-nitro-N,N-diphenylaniline
Shipping Conditions
Room Temperature

Chemical Information

2-Nitro-N,N-diphenylaniline
CAS Number53013-38-0
PubChem CID14047109
IUPAC Name2-nitro-N,N-diphenylaniline
Molecular FormulaC18H14N2O2
Molecular Weight290.3
XLogP5
Topological Polar Surface Area49.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity339
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O2/c21-20(22)18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKey
AEPMPJYRISCFKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nitro-N,N-diphenylaniline
CAS: 53013-38-0
CID: 14047109
Formula: C18H14N2O2
MW: 290.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.3
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass290.105527694
Monoisotopic Mass290.105527694
Topological Polar Surface Area49.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity339
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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