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32399-12-5 molecular structure
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[2-(methylamino)pyridin-3-yl]methanol

ChemBase ID: 68725
Molecular Formular: C7H10N2O
Molecular Mass: 138.1671
Monoisotopic Mass: 138.07931295
SMILES and InChIs

SMILES:
c1(c(cccn1)CO)NC
Canonical SMILES:
CNc1ncccc1CO
InChI:
InChI=1S/C7H10N2O/c1-8-7-6(5-10)3-2-4-9-7/h2-4,10H,5H2,1H3,(H,8,9)
InChIKey:
VYPMWCUNCNMNOM-UHFFFAOYSA-N

Cite this record

CBID:68725 http://www.chembase.cn/molecule-68725.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(methylamino)pyridin-3-yl]methanol
IUPAC Traditional name
[2-(methylamino)pyridin-3-yl]methanol
Synonyms
2-(N-Methylamino)-3-hydroxymethylpyridine
[2-(Methylamino)pyridin-3-yl]methanol
3-(Hydroxymethyl)-2-(methylamino)pyridine
CAS Number
32399-12-5
MDL Number
MFCD06254696
PubChem SID
162034455
PubChem CID
4738518

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.660508  H Acceptors
H Donor LogD (pH = 5.5) -0.7404352 
LogD (pH = 7.4) 0.02205989  Log P 0.05545928 
Molar Refractivity 41.2243 cm3 Polarizability 14.866544 Å3
Polar Surface Area 45.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Toxic/Harmful expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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