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2-Amino-5-nitrobenzophenone

CAT: 0804-HY-B2120-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-B2120-01Size:10 g
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Description
2-Amino-5-nitrobenzophenone (Ro-7-19990) is a degradation of benzodiazepines. 2-Amino-5-nitrobenzophenone can be used for research and forensic applications[1].
CAS Number
1775-95-7
Product Name Alternative
Ro-7-19990
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Neurological Disease
Purity
99.16
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC([N+]([O-])=O)=CC=C1N)C2=CC=CC=C2
Molecular Formula
C13H10N2O3
Molecular Weight
242.23
Precautions
H315, H319, H335
References & Citations
[1]V Balachandran, et al. Structural features of the 2-amino-5-nitrobenzophenone by means of vibrational spectroscopy HF and DFT, first order hyperpolarizability, NBO, HOMO-LUMO and theromodynamic properties. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jan 24:118:835-46.|[2]Koichi Saito, et al. Elucidation of Degradation Behavior of Nitrazepam, a Benzodiazepine Drug, under Basic Conditions: Study on Degradability of Drugs in Stomach (IV) . Chemical and Pharmaceutical Bulletin. 2024.7.2
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Amino-5-nitrobenzophenone

urinary metabolite of nitrazepam

CAS Number1775-95-7
PubChem CID15681
IUPAC Name(2-amino-5-nitrophenyl)-phenylmethanone
Molecular FormulaC13H10N2O3
Molecular Weight242.23
XLogP3
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity321
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N
InChI
InChI=1S/C13H10N2O3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,14H2
InChIKey
PZPZDEIASIKHPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-5-nitrobenzophenone
CAS: 1775-95-7
CID: 15681
Formula: C13H10N2O3
MW: 242.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight242.23
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass242.06914219
Monoisotopic Mass242.06914219
Topological Polar Surface Area88.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity321
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