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Tris(p-nitrophenyl)amine

CAT: 0572-TRC-T886100-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T886100-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20440-93-1
Hazard Statement
Harmful in contact with skin.
Purity
>95% (HPLC)
Smiles
[O-][N+](=O)c1ccc(cc1)N(c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)[N+](=O)[O-]
Molecular Formula
C18 H12 N4 O6
Molecular Weight
380.31
InChI
InChI=1S/C18H12N4O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12H
Additionnal Information
IUPAC name: 4-nitro-N,N-bis(4-nitrophenyl)aniline
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Benzenamine, 4-nitro-N,N-bis(4-nitrophenyl)-
CAS Number20440-93-1
PubChem CID88538
IUPAC Name4-nitro-N,N-bis(4-nitrophenyl)aniline
Molecular FormulaC18H12N4O6
Molecular Weight380.3
XLogP4.6
Topological Polar Surface Area141
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity481
SMILES
C1=CC(=CC=C1N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H12N4O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12H
InChIKey
LSNJBIDKQIRWRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenamine, 4-nitro-N,N-bis(4-nitrophenyl)-
CAS: 20440-93-1
CID: 88538
Formula: C18H12N4O6
MW: 380.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass380.07568412
Monoisotopic Mass380.07568412
Topological Polar Surface Area141 Ų
Heavy Atom Count28
Formal Charge0
Complexity481
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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