2,2-Diphenylethylamine - CAS 3963-62-0
Catalog: |
BB024065 |
Product Name: |
2,2-Diphenylethylamine |
CAS: |
3963-62-0 |
Synonyms: |
2,2-diphenylethanamine |
IUPAC Name: | 2,2-diphenylethanamine |
Description: | 2,2-Diphenylethylamine (CAS# 3963-62-0) is a useful research chemical. |
Molecular Weight: | 197.28 |
Molecular Formula: | C14H15N |
Canonical SMILES: | C1=CC=C(C=C1)C(CN)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2 |
InChI Key: | RXMTUVIKZRXSSM-UHFFFAOYSA-N |
Boiling Point: | 139-140 °C (1.2 mmHg) |
Density: | 1.039 g/cm3 |
MDL: | MFCD00008143 |
LogP: | 3.47750 |
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 |
19700330 | 20090915 | Synthesis, structure-affinity relationships, and modeling of AMDA analogs at 5-HT2A and H1 receptors: structural factors contributing to selectivity | Bioorganic & medicinal chemistry |
19345586 | 20090501 | NMDA receptor affinities of 1,2-diphenylethylamine and 1-(1,2-diphenylethyl)piperidine enantiomers and of related compounds | Bioorganic & medicinal chemistry |
18847250 | 20081113 | Potential modes of interaction of 9-aminomethyl-9,10-dihydroanthracene (AMDA) derivatives with the 5-HT2A receptor: a ligand structure-affinity relationship, receptor mutagenesis and receptor modeling investigation | Journal of medicinal chemistry |
19696872 | 20081007 | Two- and three-dimensional quantitative structure-activity relationships studies on a series of liver x receptor ligands | The open medicinal chemistry journal |
18602830 | 20080801 | Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1 | Bioorganic & medicinal chemistry |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.120449483 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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