1-Methyl-imidazole-d3

CAT: 0804-HY-59137S1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-59137S1Size:1 mg

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Description

1-Methyl-imidazole-d3 is the deuterium labeled 1-Methylimidazole[1].

CAS Number

16650-76-3

UNSPSC

12352005

Target

Isotope-Labeled Compounds

Type

Isotope-Labeled Compounds

Related Pathways

Others

Field of Research

Others

Solubility

10 mM in DMSO

Smiles

[2H]C([2H])([2H])N1C=CN=C1

Molecular Formula

C4H3D3N2

Molecular Weight

85.12

References & Citations

[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.

Shipping Conditions

Room temperature

Scientific Category

Isotope-Labeled Compounds

Clinical Information

No Development Reported

Chemical Information

1-Methylimidazole-d3

CAS Number	16650-76-3
PubChem CID	11320907
IUPAC Name	1-(trideuteriomethyl)imidazole
Molecular Formula	C4H6N2
Molecular Weight	85.12
XLogP	-0.1
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	44

SMILES

[2H]C([2H])([2H])N1C=CN=C1

InChI

InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/i1D3

InChIKey

MCTWTZJPVLRJOU-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 16650-76-3

CID: 11320907

Formula: C4H6N2

MW: 85.12

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	85.12
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	85.071928438
Monoisotopic Mass	85.071928438
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	44.8
Isotope Atom Count	3
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

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Alternative Products

Catalog	Name
sc-206181	1-Methyl-d3-imidazole
CS-O-03531	4-Methyl-d3 Imidazole
TRC-M313582-25MG	N-Methyl-1H-imidazole-1-carboxamide-d3
GAA74543-01	Imidazole-d3
MBS6030100-01	MTIC-d3 (Monomethyl-d3 Triaizeno Imidazole Carboxamide, 3-Methyl-d3-(triazenyl)imidazole-4-carboxamide, 5-(3-Methyl-d3-triazen-1-yl)imidazole-4-carboxamide, NSC 407347-d3)
M4695-15D	MTIC-d3 (Monomethyl-d3 Triaizeno Imidazole Carboxamide, 3-Methyl-d3- (triazenyl) imidazole-4-carboxamide, 5- (3-Methyl-d3-triazen-1-yl) imidazole-4-carboxamide, NSC 407347-d3)
409984-01	1-Methyl-1H-imidazole-2-acetic Acid-d3 Hydrochloride
413773	2- (4-Fluorophenyl) -1-methyl-d3-1H-benzo[d]imidazole
TRC-F595637-25MG	2-(4-Fluorophenyl)-1-methyl-d3-1H-benzo[d]imidazole
JH378146	1-methyl-1H-imidazole

1-Methyl-imidazole-d3

Chemical Information

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