4,4'-Diaminobenzophenone - CAS 611-98-3
Catalog: |
BB030995 |
Product Name: |
4,4'-Diaminobenzophenone |
CAS: |
611-98-3 |
Synonyms: |
bis(4-aminophenyl)methanone; bis(4-aminophenyl)methanone |
IUPAC Name: | bis(4-aminophenyl)methanone |
Description: | Applications: 4,4'-Diaminobenzophenone is a useful research chemical. |
Molecular Weight: | 212.25 |
Molecular Formula: | C13H12N2O |
Canonical SMILES: | C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)N)N |
InChI: | InChI=1S/C13H12N2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,14-15H2 |
InChI Key: | ZLSMCQSGRWNEGX-UHFFFAOYSA-N |
Boiling Point: | 452.8±30.0 °C (Predicted) |
Melting Point: | 243-247 °C (lit.) |
Purity: | > 98.0 % (T) (HPLC) |
Density: | 1.233±0.06 g/cm3(Predicted) |
Appearance: | Light yellow to brown powder to crystal |
MDL: | MFCD00038138 |
LogP: | 3.24440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21579415 | 20100512 | Bis[4-(diphenyl-methyl-eneamino)phen-yl]methanone | Acta crystallographica. Section E, Structure reports online |
19632831 | 20090901 | In vivo evaluation of diaminodiphenyls: anticonvulsant agents with minimal acute neurotoxicity | Bioorganic & medicinal chemistry letters |
16941600 | 20070401 | Grafting amine-terminated branched architectures from poly(L-lactide) film surfaces for improved cell attachment | Journal of biomedical materials research. Part B, Applied biomaterials |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
15151395 | 20040527 | Efficient synthesis of poly(phenylazomethine) dendrons allowing access to higher generation dendrimers | Organic letters |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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