Hexane-diamine-N,N-diacetic Acid, Dihydrochloride Salt

Catalog:	BB064253
Product Name:	Hexane-diamine-N,N-diacetic Acid, Dihydrochloride Salt
Synonyms:	Hexamethylendiamin-N,N-diessigsaeure Dihydrochloride; [(6-Amino-hexyl)-carboxymethyl-amino]-acetic Acid Dihydrochloride

Technical Data

IUPAC Name:	2-[6-aminohexyl(carboxymethyl)amino]acetic acid
Description:	Hexane-diamine-N,N-diacetic Acid, Dihydrochloride Salt (cas# 58534-57-9) is a compound useful in organic synthesis.
Molecular Weight:	305.2
Molecular Formula:	C10H22Cl2N2O4
Canonical SMILES:	C(CCCN(CC(=O)O)CC(=O)O)CCN
InChI:	InChI=1S/C10H20N2O4/c11-5-3-1-2-4-6-12(7-9(13)14)8-10(15)16/h1-8,11H2,(H,13,14)(H,15,16)
InChI Key:	JRNZDINJIDNOLX-UHFFFAOYSA-N
Melting Point:	183-186ºC
Solubility:	Methanol (Slightly), Water (Slightly)
Appearance:	White to Off-White Solid
Storage:	Hygroscopic, Refrigerator, under inert atmosphere

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.14230712
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	232.14230712
Rotatable Bond Count:	10
Topological Polar Surface Area:	104Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-4.6