(5S)-N-(5-Amino-1-carboxypentyl)iminodiacetic Acid Hydrate - CAS 941689-36-7

Catalog:	BB057814
Product Name:	(5S)-N-(5-Amino-1-carboxypentyl)iminodiacetic Acid Hydrate
CAS:	941689-36-7
Synonyms:	N\|A,N\|A-Bis(carboxymethyl)-L-lysine hydrate; (5S)-N-(5-Amino-1-carboxypentyl)iminodiacetic acid hydrate; (S)-2,2'-((5-amino-1-carboxypentyl)azanediyl)diacetic acid hydrate; (2S)-6-Amino-2-[bis(carboxymethyl)amino]hexanoic acid; hydrate; N?,N?-Bis(carboxymethyl)-L-lysine hydrate; L-Lysine, N2,N2-bis(carboxymethyl)-, monohydrate

Technical Data

IUPAC Name:	(2S)-6-amino-2-[bis(carboxymethyl)amino]hexanoic acidhydrate
Description:	(5S)-N-(5-Amino-1-carboxypentyl)iminodiacetic Acid Hydrate (CAS# 941689-36-7) is a useful research chemical compound. It is used as an active agent for use in hair regrowth regulation.
Molecular Weight:	262.26 + x(18.02)
Molecular Formula:	C10H18N2O6·xH2O
Canonical SMILES:	C(CCN)CC(C(=O)O)N(CC(=O)O)CC(=O)O.O
InChI:	InChI=1S/C10H18N2O6.H2O/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)1H2/t7-/m0./s1
InChI Key:	WTVPNZLAZFGAFK-FJXQXJEOSA-N
Melting Point:	>218°C (dec.)
Solubility:	Aqueous Acid (Slightly), Water (Slightly, Sonicated)
Appearance:	White to Off-White Solid
Storage:	-20°C, Hygroscopic
References:	Rouille, T., et al. Eur. Pat. Appl. (2021), EP 3766545 A1 20210120.

Complexity:	291
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	280.12705098
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	5
Isotope Atom Count:	0
Monoisotopic Mass:	280.12705098
Rotatable Bond Count:	10
Topological Polar Surface Area:	142Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0