L-NIL hydrochloride

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L-NIL hydrochloride

L-NIL hydrochloride | 150403-89-7

Catelog Number A03-0008
Category Nitric Oxide (NO) & Reactive Oxygen Species (ROS)
Molecular Formula C8H17N3O2.HCl
Molecular Weight 223.7
Catalog Number Size Price Quantity
A03-0008 -- $--

Product Introduction

L-NIL hydrochloride is a nitric oxide synthase inhibitor with IC50 value of 3.3 μM.

Chemical Information

Synonyms L-NIL;N6-(1-Iminoethyl)-L-lysine hydrochloride
Purity ≥95% by HPLC
IUPAC Name (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid;hydrochloride
Canonical SMILES CC(=NCCCCC(C(=O)O)N)N.Cl
InChI InChI=1S/C8H17N3O2.ClH/c1-6(9)11-5-3-2-4-7(10)8(12)13;/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13);1H/t7-;/m0./s1
InChI Key HJYWSATZDBEAOS-FJXQXJEOSA-N
Solubility Soluble in water
Appearance White solid

Product Specification

Storage Store at-10 to-35 °C, Desiccate
Signal Warning
GHS Hazard Statements 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 Codes 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 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties

Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 223.1087545 g/mol
Monoisotopic Mass 223.1087545 g/mol
Topological Polar Surface Area 102Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 192
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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