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5683-33-0 molecular structure
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N,N-dimethylpyridin-2-amine

ChemBase ID: 76852
Molecular Formular: C7H10N2
Molecular Mass: 122.1677
Monoisotopic Mass: 122.08439833
SMILES and InChIs

SMILES:
n1c(cccc1)N(C)C
Canonical SMILES:
CN(c1ccccn1)C
InChI:
InChI=1S/C7H10N2/c1-9(2)7-5-3-4-6-8-7/h3-6H,1-2H3
InChIKey:
PSHKMPUSSFXUIA-UHFFFAOYSA-N

Cite this record

CBID:76852 http://www.chembase.cn/molecule-76852.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethylpyridin-2-amine
IUPAC Traditional name
2-dimethylaminopyridine
Synonyms
2-(Dimethylamino)pyridine
N,N-Dimethylpyridin-2-amine
2-Dimethylaminopyridine
N,N-Dimethylpyridin-2-amine
2-(Dimethylamino)pyridine
2-(二甲氨基)吡啶
2-二甲基氨吡啶
CAS Number
5683-33-0
EC Number
227-147-5
MDL Number
MFCD00006261
Beilstein Number
110353
PubChem SID
162041754
24846568
24864560
PubChem CID
21885

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5265905  LogD (pH = 7.4) 1.4063991 
Log P 1.4580748  Molar Refractivity 38.6432 cm3
Polarizability 14.255907 Å3 Polar Surface Area 16.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
190-192°C expand Show data source
191 °C(lit.) expand Show data source
Flash Point
116.6 °F expand Show data source
47 °C expand Show data source
80°C(176°F) expand Show data source
Density
0.984 g/mL at 25 °C(lit.) expand Show data source
1.008 expand Show data source
Refractive Index
1.5590 expand Show data source
n20/D 1.559 expand Show data source
n20/D 1.559(lit.) expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
US9200000 expand Show data source
European Hazard Symbols
X expand Show data source
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
22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
23-26-36 expand Show data source
23-26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
H301-H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥98.0% (GC) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C7H10N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 102245 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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