Butachlor ESA Sodium Salt - CAS 1173022-75-7

Catalog:	BB055357
Product Name:	Butachlor ESA Sodium Salt
CAS:	1173022-75-7
Synonyms:	Butachlor ESA sodium salt; sodium; 2-[N-(butoxymethyl)-2,6-diethylanilino]-2-oxoethanesulfonate; 2-[(2,6-Diethylphenyl)(butoxymethyl)amino]-2-oxo-ethanesulfonic acid sodium salt; Butachlor-Ethane Sulfonic Acid (ESA) Sodium; sodium

Technical Data

IUPAC Name:	sodium2-[N-(butoxymethyl)-2,6-diethylanilino]-2-oxoethanesulfonate
Molecular Weight:	379.45
Molecular Formula:	C17H26NNaO5S
Canonical SMILES:	CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CS(=O)(=O)[O-].[Na+]
InChI:	InChI=1S/C17H27NO5S.Na/c1-4-7-11-23-13-18(16(19)12-24(20,21)22)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3,(H,20,21,22)/q+1/p-1
InChI Key:	KNWWTVNLPSYRSP-UHFFFAOYSA-M
Melting Point:	181-184ºC
Solubility:	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	Off-White Solid
Storage:	-20°C, Inert atmosphere

Complexity:	468
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	379.14293839
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	379.14293839
Rotatable Bond Count:	10
Topological Polar Surface Area:	95.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0