Pyrazine Impurity 4

CAT: 1596-AR-P33244-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-P33244-02Size:25 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

31396-35-7

Molecular Formula

C5H6N2O

Molecular Weight

110.12

API Name

Pyrazine

Chemical Information

2-Methylpyrazine 1-oxide

CAS Number	31396-35-7
PubChem CID	573478
IUPAC Name	2-methyl-1-oxidopyrazin-1-ium
Molecular Formula	C5H6N2O
Molecular Weight	110.11
XLogP	-0.8
Topological Polar Surface Area	38.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	76

SMILES

CC1=[N+](C=CN=C1)[O-]

InChI

InChI=1S/C5H6N2O/c1-5-4-6-2-3-7(5)8/h2-4H,1H3

InChIKey

LYVNPPFWRNTXQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31396-35-7

CID: 573478

Formula: C5H6N2O

MW: 110.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	110.11
XLogP3	-0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	110.048012819
Monoisotopic Mass	110.048012819
Topological Polar Surface Area	38.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	76.8
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

Catalog	Name
AR-P33356-01	Pyridine Impurity 4
AR-P33246-01	Pyrazine Impurity 3 HCl (3-Methylpyridine HCl)
AR-P03257-01	Pyrazine
AR-N01600-01	Nintedanib Impurity 4 (Intedanib Impurity 4)
AR-P33238-01	Pyrazine-d4
AR-L07283-01	Limonene Impurity 4
AR-L00986-01	Levothyroxine Impurity 4
AR-L01517-01	Levofloxacin Impurity 4
AR-L06997-01	Levocarnitine Impurity 4
AR-L06980-01	Levocabastine Impurity 4

Catalog	Name
CS-O-56604	Vildagliptin Pyrazine impurity
CS-EO-01542	Vildagliptin Pyrazine Dione impurity
sc-250805	Pyrazine
C4941-25	SCR7 pyrazine
HY-W013040S-01	Pyrazine-d4
90030980	Pyrazine, 99%
P29280-01	Pyrazine 98%