N,N'-Bis[2-(2-hydroxyethoxy)ethyl]-urea - CAS 72877-98-6

Name: N,N'-Bis[2-(2-hydroxyethoxy)ethyl]-urea
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB072910
Product Name:	N,N'-Bis[2-(2-hydroxyethoxy)ethyl]-urea
CAS:	72877-98-6
Synonyms:	1,3-Bis(2-(2-hydroxyethoxy)ethyl)urea; 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea

Technical Data

IUPAC Name:	1,3-bis[2-(2-hydroxyethoxy)ethyl]urea
Description:	N,N'-Bis[2-(2-hydroxyethoxy)ethyl]-urea can be synthesized from 2-(2-Aminoethoxy)ethanol (A609095), a widely used reactant that has been used in the preparation of TD-4306 as long-acting b2-agonist for asthma and COPD therapy.
Molecular Weight:	236.27
Molecular Formula:	C9H20N2O5
Canonical SMILES:	C(COCCO)NC(=O)NCCOCCO
InChI:	InChI=1S/C9H20N2O5/c12-3-7-15-5-1-10-9(14)11-2-6-16-8-4-13/h12-13H,1-8H2,(H2,10,11,14)
InChI Key:	NTVMILOZMRGPCB-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Sparingly)
Appearance:	Clear Pale Yellow Oil
Storage:	4°C
References:	Mckinnell, R.M., et. al. Bioorg. Med. Chem. Lett., 24, 2871 (2014).

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.13722174
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	236.13722174
Rotatable Bond Count:	10
Topological Polar Surface Area:	100Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-2.3