2-Methylimidazole 98% Extrapure

CAT: 1507-01731 00100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1507-01731 00100Size:100 mg

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CAS Number

693-98-1

Chemical Information

2-Methylimidazole

2-Methylimidazole can cause cancer according to California Labor Code.

CAS Number	693-98-1
PubChem CID	12749
IUPAC Name	2-methyl-1H-imidazole
Molecular Formula	C4H6N2
Molecular Weight	82.10
XLogP	0.2
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	44

SMILES

CC1=NC=CN1

InChI

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

InChIKey

LXBGSDVWAMZHDD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 693-98-1

CID: 12749

Formula: C4H6N2

MW: 82.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	82.10
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	82.053098200
Monoisotopic Mass	82.053098200
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	44.8
Isotope Atom Count	0
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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