CAS 119451-78-4|1,4-Diazabicylo[2.2.2]octane-d12

Introduction：Basic information about CAS 119451-78-4|1,4-Diazabicylo[2.2.2]octane-d12, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 1,4-Diazabicylo[2.2.2]octane-d12 BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	1,4-Diazabicylo[2.2.2]octane-d12
CAS Number	119451-78-4	Molecular Weight	124.247
Density	1.1±0.1 g/cm3	Boiling Point	174.0±0.0 °C at 760 mmHg
Molecular Formula	C₆D₁₂N₂	Melting Point	/
MSDS	/	Flash Point	62.2±0.0 °C

Names

Name	(2H12)-1,4-Diazabicyclo[2.2.2]octane
Synonym	More Synonyms

1,4-Diazabicylo[2.2.2]octane-d12 BiologicalActivity

Description	1,4-Diazabicyclo[2.2.2]octane-d12 is the deuterium labeled 1,4-Diazabicyclo[2.2.2]octane[1].
Related Catalog	Research Areas >>OthersSignaling Pathways >>Others >>Others
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	174.0±0.0 °C at 760 mmHg
Molecular Formula	C₆D₁₂N₂
Molecular Weight	124.247
Flash Point	62.2±0.0 °C
Exact Mass	124.175369
PSA	6.48000
LogP	-0.85
Vapour Pressure	1.2±0.3 mmHg at 25°C
Index of Refraction	1.561
InChIKey	IMNIMPAHZVJRPE-LBTWDOQPSA-N
SMILES	C1CN2CCN1CC2

Synonyms

(H)-1,4-Diazabicyclo[2.2.2]octane

1,4-Diazabicyclo[2.2.2]octane-d12

T66 A B CN FNTJ &&Deutero-D12

1,4-Diazabicyclo[2.2.2]octane-d

1,4-Diazabicylo[2.2.2]octane-d12

(2H12)-1,4-Diazabicyclo[2.2.2]octane

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