1,2-Diphenylethylamine - CAS 25611-78-3
Catalog: |
BB018973 |
Product Name: |
1,2-Diphenylethylamine |
CAS: |
25611-78-3 |
Synonyms: |
1,2-diphenylethanamine |
IUPAC Name: | 1,2-diphenylethanamine |
Description: | 1,2-Diphenylethylamine (CAS# 25611-78-3) is used in the preparation of GDP-triazoles for inhibition of human α-1,3-fucosyltransferases. |
Molecular Weight: | 197.28 |
Molecular Formula: | C14H15N |
Canonical SMILES: | C1=CC=C(C=C1)CC(C2=CC=CC=C2)N |
InChI: | InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2 |
InChI Key: | DTGGNTMERRTPLR-UHFFFAOYSA-N |
Boiling Point: | 310-311 °C / 750 mmHg (lit.) |
Density: | 1.02 g/mL at 25°C(lit.) |
MDL: | MFCD00008063 |
LogP: | 3.62940 |
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 |
Publication Number | Title | Priority Date |
WO-2021147123-A1 | Compound having antisporulant activity and pharmaceutical composition thereof | 20200120 |
CN-112159401-A | Biased agonist and medical application thereof | 20191105 |
WO-2021088805-A1 | Biased agonist and medical use thereof | 20191105 |
WO-2020260425-A1 | Fused imidazole derivatives as il-17 modulators | 20190626 |
TW-201943685-A | Method for producing cyclohexanedicarboxylic acids, dicyanocyclohexanes, and bis (aminomethyl) cyclohexanes | 20180411 |
PMID | Publication Date | Title | Journal |
22720976 | 20120720 | Enantioselective synthesis of trans-dihydrobenzofurans via primary amine-thiourea organocatalyzed intramolecular Michael addition | The Journal of organic chemistry |
19345586 | 20090501 | NMDA receptor affinities of 1,2-diphenylethylamine and 1-(1,2-diphenylethyl)piperidine enantiomers and of related compounds | Bioorganic & medicinal chemistry |
Complexity: | 166 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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