CAS 161602-47-7|L-ALANINE-N-T-BOC (3,3,3-D3)

Introduction：Basic information about CAS 161602-47-7|L-ALANINE-N-T-BOC (3,3,3-D3), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. L-ALANINE-N-T-BOC (3,3,3-D3) BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	L-ALANINE-N-T-BOC (3,3,3-D3)
CAS Number	161602-47-7	Molecular Weight	192.23
Density	1.1±0.1 g/cm3	Boiling Point	320.9±25.0 °C at 760 mmHg
Molecular Formula	C₈H₁₂D₃NO₄	Melting Point	79-83ºC(lit.)
MSDS	USA	Flash Point	147.9±23.2 °C

Names

Name	(2S)-3,3,3-trideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Synonym	More Synonyms

L-ALANINE-N-T-BOC (3,3,3-D3) BiologicalActivity

Description	Boc-L-Ala-OH-d3 is the deuterium labeled Boc-L-Ala-OH[1].
Related Catalog	Research Areas >>CancerSignaling 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;53(2):211-216.

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	320.9±25.0 °C at 760 mmHg
Melting Point	79-83ºC(lit.)
Molecular Formula	C₈H₁₂D₃NO₄
Molecular Weight	192.23
Flash Point	147.9±23.2 °C
Exact Mass	192.118942
PSA	75.63000
LogP	1.10
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.460
InChIKey	QVHJQCGUWFKTSE-MQBGRFPLSA-N
SMILES	CC(NC(=O)OC(C)(C)C)C(=O)O

Safety Information

RIDADR	NONH for all modes of transport
WGK Germany	3

Synonyms

N-(tert-Butoxycarbonyl)-L-(3,3,3-H)alanine

Boc-Ala-OH-3,3,3-d3

L-Alanine-3,3,3-d3,N-t-Boc derivative

L-Alanine-3,3,3-d, N-[(1,1-dimethylethoxy)carbonyl]-

MFCD00084110

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-(3,3,3-H)alanine

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