3-Methoxy-2,5-dimethylpyrazine

CAT: 0127-OR1072159-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1072159-01Size:100 mg

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CAS Number

19846-22-1

MDL Number

MFCD28162737

Purity

95%

Smiles

CC1=CN=C(C)C(OC)=N1

Chemical Information

2,5-Dimethyl-3-methoxypyrazine

CAS Number	19846-22-1
PubChem CID	586728
IUPAC Name	3-methoxy-2,5-dimethylpyrazine
Molecular Formula	C7H10N2O
Molecular Weight	138.17
XLogP	0.8
Topological Polar Surface Area	35
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

CC1=CN=C(C(=N1)OC)C

InChI

InChI=1S/C7H10N2O/c1-5-4-8-6(2)7(9-5)10-3/h4H,1-3H3

InChIKey

QYRGVELVPYDICQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19846-22-1

CID: 586728

Formula: C7H10N2O

MW: 138.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.17
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	138.079312947
Monoisotopic Mass	138.079312947
Topological Polar Surface Area	35 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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

Catalog	Name
OR73264-01	2-Methoxy-3,5-dimethylpyrazine
OR1069946-01	2-Iodo-3,5-dimethylpyrazine
OR12278-01	2-Chloro-3,5-dimethylpyrazine
OR80993-01	3-Iodo-2,5-dimethylpyrazine
OR904583-01	2-Acetyl-3,5-dimethylpyrazine
OR6021-01	2,5-Dimethylpyrazine
OR21606-01	2-Amino-3,5-dimethylpyrazine
OR86392-01	3-Ethyl-2,5-dimethylpyrazine
OR1101529-01	2-Ethyl-3,5-Dimethylpyrazine
OR1048421-01	5- (Bromomethyl) -2,3-dimethylpyrazine