(1R,2R)-(+)-N,N'-Bis(2-diphenylphosphinobenzoyl)-1,2-diaminoCyclohexane - CAS 138517-61-0

Name: (1R,2R)-(+)-N,N'-Bis(2-diphenylphosphinobenzoyl)-1,2-diaminoCyclohexane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB043312
Product Name:	(1R,2R)-(+)-N,N'-Bis(2-diphenylphosphinobenzoyl)-1,2-diaminoCyclohexane
CAS:	138517-61-0
Synonyms:	TROST LIGAND; (1R,2R)-(+)-1,2-DIAMINOCYCLOHEXANE-N,N'-BIS(2'-DIPHENYLPHOSPHINOBENZOYL); (1R,2R)-(+)-1,2-TROST LIGAND; (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-di-phenylphoshinobenzoyl); (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobe

Technical Data

IUPAC Name:	2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamide
Description:	(1R,2R)-(+)-N,N'-Bis(2-diphenylphosphinobenzoyl)-1,2-diaminoCyclohexane (CAS# 138517-61-0 ) is a useful research chemical.
Molecular Weight:	690.75
Molecular Formula:	C44H40N2O2P2
Canonical SMILES:	C1CCC(C(C1)NC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI:	InChI=1S/C44H40N2O2P2/c47-43(37-27-13-17-31-41(37)49(33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)50(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-14,17-28,31-32,39-40H,15-16,29-30H2,(H,45,47)(H,46,48)/t39-,40-/m1/s1
InChI Key:	AXMSEDAJMGFTLR-XRSDMRJBSA-N
Melting Point:	136-142 °C
Purity:	95 %
Appearance:	White to tan solid or powder
Storage:	Inert atmosphere. Keep cold.
MDL:	MFCD01631273

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261 - P305 - P351 - P338
Signal Word:	Warning

Complexity:	929
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	690.25650252
Formal Charge:	0
Heavy Atom Count:	50
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	690.25650252
Rotatable Bond Count:	10
Topological Polar Surface Area:	58.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.9