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2014-58-6

2014-58-6 structural image
Product Name: HEXANOICACID,6-[(6-AMINO-1-OXOHEXYL)AMINO]-
Formula: C12H24N2O3
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 244.33 g/mol
XLogP3 -2.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 11
Exact Mass 244.17869263 g/mol
Monoisotopic Mass 244.17869263 g/mol
Topological Polar Surface Area 92.4 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 220
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

N-(6-aminohexanoyl)-6-aminohexanoic acid is the N-(6-aminohexanoyl) derivative of 6-aminohexanoic acid It is functionally related to a hexanoic acid. It is a conjugate acid of a N-(6-aminohexanoyl)-6-aminohexanoate. It is a tautomer of a N-(6-aminohexanoyl)-6-aminohexanoic acid zwitterion.

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