meso-1,2-Diphenylethylenediamine - CAS 951-87-1

Catalog:	BB041637
Product Name:	meso-1,2-Diphenylethylenediamine
CAS:	951-87-1
Synonyms:	(1R,2S)-1,2-diphenylethane-1,2-diamine

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Computed Properties

IUPAC Name:	(1R,2S)-1,2-diphenylethane-1,2-diamine
Description:	meso-1,2-Diphenylethylenediamine (CAS# 951-87-1) is a useful research chemical.
Molecular Weight:	212.29
Molecular Formula:	C14H16N2
Canonical SMILES:	C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N
InChI:	InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14+
InChI Key:	PONXTPCRRASWKW-OKILXGFUSA-N
Boiling Point:	353.9 ℃ at 760 mmHg
Density:	1.106 g/cm³
Appearance:	White to yellow to beige solid
MDL:	MFCD00274328
LogP:	3.78700

Publication Number	Title	Priority Date
WO-2020195437-A1	Method for producing pkrostaglandin	20190327
TW-202102472-A	Manufacturing method of prostaglandin	20190327
CN-111658781-A	Mesoscale solubilization functional active compound system and preparation method and application thereof	20190308
EP-3141303-A1	Grubbs-hoveyda type catalyst for metathesis reactions in highly reactive environments	20150914
US-10012627-B2	Determining stereoisomeric excess, concentration and absolute configuration	20130315

PMID	Publication Date	Title	Journal
22273775	20120307	Enantioseparation of 1-arylethanols via a supramolecular chiral host consisting of N-(2-naphthoyl)-L-aspartic acid and an achiral diamine	Organic & biomolecular chemistry
18591833	20080701	Synthesis and antiviral activities of N-mono- and/or N,N'-di-carbamoyl and acyl derivatives of symmetrical diamines	Chemical & pharmaceutical bulletin

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GHS Hazard Statement:	H315 (95.12%): 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:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	212.131348519
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	212.131348519
Rotatable Bond Count:	3
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4