1-Methylimidazole-d3 (ring-d3)

CAT: 0572-TRC-M312981-5MGSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M312981-5MGSize:5 mg

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CAS Number

4166-68-1

Synonyms

1H-Imidazole-2,4,5-d3, 1-methyl- (9CI, ACI); 1-Methyl-1H-imidazole-2,4,5-d3 (ACI); Imidazole-2,4,5-d3, 1-methyl- (7CI, 8CI); 1-Methylimidazole-2,4,5-d3; N-Methylimidazole-d3; 1-Methyl-1H-imidazole-2,4,5-D3; 1-Methylimidazole-d3; 1-Methylimidazole-d3 (ring-d3)

Hazard Statement

No Data Available

Smiles

[2H]c1nc([2H])n(C)c1[2H]

Molecular Formula

C4 D3 H3 N2

Molecular Weight

85.122

InChI

InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/i2D,3D,4D

Additionnal Information

IUPAC name: 2,4,5-trideuterio-1-methylimidazole

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

1-Methylimidazole-D3 (ring-D3)

CAS Number	4166-68-1
PubChem CID	57636741
IUPAC Name	2,4,5-trideuterio-1-methylimidazole
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]C1=C(N(C(=N1)[2H])C)[2H]

InChI

InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/i2D,3D,4D

InChIKey

MCTWTZJPVLRJOU-NRUYWUNFSA-N

Chemical Structure

2D Structure

CAS: 4166-68-1

CID: 57636741

Formula: C4H6N2

MW: 85.12

Interactive 3D Structure

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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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Catalog	Name
M312982	1-Methylimidazole-d3
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TRC-M312992-5MG	4-Methylimidazole-d3
TRC-M312988-5MG	2-Methylimidazole-d3 (~90%)
TRC-M312988-10MG	2-Methylimidazole-d3 (~90%)
TRC-M312980-10G	1-Methylimidazole
TRC-M312980-100G	1-Methylimidazole
TRC-M312980-1G	1-Methylimidazole
TRC-M312989-10MG	1-Methylimidazole-d6

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Catalog	Name
MBS6028018-01	1-Methylimidazole-d3
HY-59137S2-01	1-Methylimidazole-d3-1
TMIJ-0033-01	4-Methylimidazole-d3
418841-01	2-Methylimidazole-d3
MBS6112405-01	Methimazole-d3 (1,3-Dihydro-1-methyl-d3-2H-imidazole-2-thione, 1-Methylimidazole-d3-2-thiol, Mercazolyl-d3, Thiamazole-d3, Basolan-d3, Mercazole-d3, Metazolo-d3)
AR-H01134-01	2- (1-Methylimidazole-4-yl) ethanamine-d3
HY-132348S1	Granisetron-d3 (1-methyl-d3)
A5050-01	Azithromycin-d3 (CP-62993-d3, XZ-450-d3, Azitrocin-d3, Ribotrex-d3, Sumamed-d3, Trozocina-d3, Zithromaz-d3, Zitromax-d3)
XV184544-01	Vitamin D3-d3
RM-V307743-01	Vitamin D3-[D3]

1-Methylimidazole-d3 (ring-d3)

Chemical Information

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