N-(5-Amino-1-carboxypentyl)iminodiacetic acid - CAS 113231-05-3

Name: N-(5-Amino-1-carboxypentyl)iminodiacetic acid
Brand: BOC Sciences
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Catalog:	BB043198
Product Name:	N-(5-Amino-1-carboxypentyl)iminodiacetic acid
CAS:	113231-05-3
Synonyms:	N2,N2-Bis(carboxymethyl)-L-lysine; (S)-2,2'-((5-Amino-1-carboxypentyl)azanediyl)diacetic acid; Nα,Nα-Bis(carboxymethyl)-L-lysine
Application:	A nitrilotriacetic acid derivative used as a metal chelating adsorbent for metal ion affinity chromatography. This method can be used for identification and rapid one-step purification of gene products expressed as fusion proteins with an oligo-histidine

Technical Data

IUPAC Name:	(2S)-6-amino-2-[bis(carboxymethyl)amino]hexanoic acid
Description:	N-(5-Amino-1-carboxypentyl)iminodiacetic acid is a competitive inhibitor of bitter taste receptor 4 with an IC50 value of 59 nM.
Molecular Weight:	262.26
Molecular Formula:	C10H18N2O6
Canonical SMILES:	C(CCN)CC(C(=O)O)N(CC(=O)O)CC(=O)O
InChI:	InChI=1S/C10H18N2O6/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)/t7-/m0/s1
InChI Key:	SYFQYGMJENQVQT-ZETCQYMHSA-N
Boiling Point:	537.8±50.0 °C (Predicted)
Melting Point:	>208 °C
Flash Point:	279°C
Purity:	95 %
Density:	1.389 g/cm³
Appearance:	Off-white solid
MDL:	MFCD00237437
LogP:	-0.25990
Refractive Index:	1.551
Vapor Pressure:	5.41E-13mmHg at 25°C

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	291
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	262.1164863
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	262.1164863
Rotatable Bond Count:	10
Topological Polar Surface Area:	141
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-5.3