1,2-Diphenylethylamine - CAS 25611-78-3

Catalog:	BB018973
Product Name:	1,2-Diphenylethylamine
CAS:	25611-78-3
Synonyms:	1,2-diphenylethanamine

Technical Data

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Computed Properties

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 ℃ / 750 mmHg (lit.)
Density:	1.02 g/mL at 25℃(lit.)
MDL:	MFCD00008063
LogP:	3.62940

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

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Related Functional Groups

Nitrogen Compounds

[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine
[351-28-0]
3'-Fluoroacetanilide
[5071-96-5]
3-Methoxybenzylamine
[1129-37-9]
4-Nitrobenzaldehyde oxime

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:	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