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146724-94-9

146724-94-9 structural image
Product Name: NOC-18
Formula: C4H13N5O2
Synonyms: DETA NONOate;NOC-18;DETA/NO, 2,2?-(Hydroxynitrosohydrazino) bis-ethanamine, DETA NONOate;DETA/NO, 2,2?-(Hydroxynitrosohydrazino)bis-ethanamine, DETA NONOate;2,2′-(Hydroxynitrosohydrazino)bis-ethanamine
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H242:Self-reactive substances and mixtures; and Organic peroxides
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P234:Keep only in original container.
P235:Keep cool.
P240:Ground/bond container and receiving equipment.
P370+P378:In case of fire: Use … for extinction.
P403:Store in a well-ventilated place.

COMPUTED DESCRIPTORS

Molecular Weight 163.18 g/mol
XLogP3 -1.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 163.10692467 g/mol
Monoisotopic Mass 163.10692467 g/mol
Topological Polar Surface Area 117 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 122
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane is a nitroso compound that is triazane in which the the nitrogen at position 1 is substituted by two 2-aminoethyl groups, that at position 2 is substituted by a hydroxy group, and that at position 3 is substituted by an oxo group. It has a role as a nitric oxide donor. It is a tertiary amino compound and a nitroso compound. It derives from a hydride of a triazane.