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Diethylamine NONOate

Diethylamine NONOate structure

CAS No:
146724-94-9
Formula:
C4H13N5O2
Chemical Name:
Diethylamine NONOate
Synonyms:
Ethanamine,2,2′-(2-hydroxy-2-nitrosohydrazinylidene)bis-;Ethanamine,2,2′-(hydroxynitrosohydrazono)bis-;2,2′-(2-Hydroxy-2-nitrosohydrazinylidene)bis[ethanamine];NOC 18;DETA/NO;DETA NONOate;Diethylamine NONOate;Diethylamine diazeniumdiolate;1,1-Bis(2-aminoethyl)-2-hydroxy-3-oxotriazane;56329-27-2;170637-66-8;199666-35-8
Categories:
Specialty Chemicals

Description

White PowderChEBI: 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.

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.

Diethylamine NONOate Basic Attributes

Molecular Weight：

163.18

Exact Mass：

163.18

NSC Number：

653048

DSSTox ID：

DTXSID7036795

HScode：

29270000

Characteristics

PSA：

108.18000

XLogP3：

-1.65

Appearance：

off-white solid

Density：

1.3102 (rough estimate)

Melting Point：

98-106 °C

Boiling Point：

290.26°C (rough estimate)

Flash Point：

137.1±30.7 °C

Refractive Index：

1.8000 (estimate)

Water Solubility：

H2O: >20 mg/mL

Storage Conditions：

−20°C

Vapor Pressure：

9.2E-05mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

KH2502500

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

A diverse group of agents, with unique chemical structures and biochemical requirements, which generate NITRIC OXIDE. These compounds have been used in the treatment of cardiovascular diseases and the management of acute myocardial infarction, acute and chronic congestive heart failure, and surgical control of blood pressure. (Adv Pharmacol 1995;34:361-81) (See all compounds classified as Nitric Oxide Donors.)

MeSH Entry Terms：

1-(N-(2-aminoethyl)-N-(2-ammonioethyl)amino)diazen-1-ium-1,2-diolate

Diethylamine NONOate Use and Manufacturing

A stable NO-amine complex which can release NO spontaneously under physiological conditions. The half life of NO release in 0.1 M PBS at (pH7.4) at 37?C for 0.1mM NOC 5 is 21 hours.Other applications include the induction of dose dependent apoptosis in macrophages, and inhibition of lipoprotein oxidation induced by Cu2+ in vitro.

Computed Properties

Molecular Weight:163.18
XLogP3:-1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:163.10692467
Monoisotopic Mass:163.10692467
Topological Polar Surface Area:117
Heavy Atom Count:11
Complexity:122
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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