2,2-Diphenylethylamine - CAS 3963-62-0

Catalog:	BB024065
Product Name:	2,2-Diphenylethylamine
CAS:	3963-62-0
Synonyms:	2,2-diphenylethanamine

Technical Data

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Computed Properties

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

Publication Number	Title	Priority Date
CN-112834740-A	Peptide-like oligomer, preparation method thereof, pharmaceutical composition and microfluidic chip	20201231
CN-112625301-A	Surface modification treating agent, modified calcium hydroxide and microporous polyurethane elastic material	20201214
RU-2750198-C1	Method for producing methylene diphenyl diisocyanate	20200813
CN-112759556-A	Synthetic method for preparing 5-mercapto-1, 2, 3-triazole sodium salt by one-pot method	20200629
US-2021262014-A1	Nanostructure, a biosensor including the nanostructure, and a screening method	20200226

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

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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

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