2,5-Pyrazinediethanol

CAT: 0926-FP27273-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FP27273-01Size:50 mg

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CAS Number

4744-51-8

Synonyms

2,2'- (2,5-Pyrazinediyl) diethanol;2,5-Bis (2-hydroxyethyl) pyrazine

MDL Number

MFCD10688647

Smiles

C1=C (N=CC (=N1) CCO) CCO

Molecular Formula

C8H12N2O2

Molecular Weight

168.19 g/mol

Controlled

Chemical Information

2,5-Pyrazinediethanol

CAS Number	4744-51-8
PubChem CID	9812863
IUPAC Name	2-[5-(2-hydroxyethyl)pyrazin-2-yl]ethanol
Molecular Formula	C8H12N2O2
Molecular Weight	168.19
XLogP	-1
Topological Polar Surface Area	66.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	108

SMILES

C1=C(N=CC(=N1)CCO)CCO

InChI

InChI=1S/C8H12N2O2/c11-3-1-7-5-10-8(2-4-12)6-9-7/h5-6,11-12H,1-4H2

InChIKey

SGEIAGPVQWBQQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4744-51-8

CID: 9812863

Formula: C8H12N2O2

MW: 168.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.19
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	168.089877630
Monoisotopic Mass	168.089877630
Topological Polar Surface Area	66.2 Å²
Heavy Atom Count	12
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
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Catalog	Name
TRC-P840815-10MG	2,5-Pyrazinediethanol
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