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2168-13-0 molecular structure
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2-[(dimethylamino)methyl]pyridin-3-ol

ChemBase ID: 110290
Molecular Formular: C8H12N2O
Molecular Mass: 152.19368
Monoisotopic Mass: 152.09496301
SMILES and InChIs

SMILES:
CN(C)Cc1ncccc1O
Canonical SMILES:
CN(Cc1ncccc1O)C
InChI:
InChI=1S/C8H12N2O/c1-10(2)6-7-8(11)4-3-5-9-7/h3-5,11H,6H2,1-2H3
InChIKey:
NUMYETXZBQVFDX-UHFFFAOYSA-N

Cite this record

CBID:110290 http://www.chembase.cn/molecule-110290.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(dimethylamino)methyl]pyridin-3-ol
IUPAC Traditional name
2-[(dimethylamino)methyl]pyridin-3-ol
Synonyms
2-Dimethylaminomethyl-3-pyridinol
2-(Dimethylaminomethyl)-3-hydroxypyridine
2-((Dimethylamino)methyl)pyridin-3-ol
2(-DIMETHYLAMINOMETHYL)-3-PYRIDOL
2-(二甲基氨甲基)-3-羟基吡啶
2-二甲胺甲基-3-吡啶醇
CAS Number
2168-13-0
EC Number
218-510-9
MDL Number
MFCD00006347
PubChem SID
162095967
24893436
PubChem CID
75108

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 75108 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.058341  H Acceptors
H Donor LogD (pH = 5.5) -1.6780095 
LogD (pH = 7.4) -0.07956322  Log P -0.013794155 
Molar Refractivity 43.9025 cm3 Polarizability 17.08065 Å3
Polar Surface Area 36.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
56-59 °C(lit.) expand Show data source
Boiling Point
98 °C/4 mmHg(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C8H12N2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214454 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D142700 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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