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6705-33-5 molecular structure
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pyrazin-2-ylmethanol

ChemBase ID: 63213
Molecular Formular: C5H6N2O
Molecular Mass: 110.11394
Monoisotopic Mass: 110.04801282
SMILES and InChIs

SMILES:
c1(cnccn1)CO
Canonical SMILES:
OCc1cnccn1
InChI:
InChI=1S/C5H6N2O/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2
InChIKey:
LFCWHDGQCWJKCG-UHFFFAOYSA-N

Cite this record

CBID:63213 http://www.chembase.cn/molecule-63213.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyrazin-2-ylmethanol
(pyrazin-2-yl)methanol
IUPAC Traditional name
pyrazin-2-ylmethanol
Synonyms
2-Pyrazinemethanol
2-pyrazinylmethanol
(2-Hydroxymethyl)pyrazine
(Pyrazin-2-yl)methanol
2-(Hydroxymethyl)pyrazine 97%
pyrazin-2-ylmethanol
CAS Number
6705-33-5
MDL Number
MFCD01693938
PubChem SID
162028952
PubChem CID
201734

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.908047  H Acceptors
H Donor LogD (pH = 5.5) -1.1479807 
LogD (pH = 7.4) -1.1479771  Log P -1.1479769 
Molar Refractivity 28.0379 cm3 Polarizability 11.00923 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
32-36°C expand Show data source
Hydrophobicity(logP)
-1.35 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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