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912761-74-1 molecular structure
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3-ethoxy-N-methylpyridin-2-amine

ChemBase ID: 297726
Molecular Formular: C8H12N2O
Molecular Mass: 152.19368
Monoisotopic Mass: 152.09496301
SMILES and InChIs

SMILES:
CCOc1cccnc1NC
Canonical SMILES:
CCOc1cccnc1NC
InChI:
InChI=1S/C8H12N2O/c1-3-11-7-5-4-6-10-8(7)9-2/h4-6H,3H2,1-2H3,(H,9,10)
InChIKey:
USCKALXXIXVIJN-UHFFFAOYSA-N

Cite this record

CBID:297726 http://www.chembase.cn/molecule-297726.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethoxy-N-methylpyridin-2-amine
IUPAC Traditional name
3-ethoxy-N-methylpyridin-2-amine
Synonyms
3-Ethoxy-N-methyl-2-pyridinamine
3-Ethoxy-2-(methylamino)pyridine
3-乙氧基-2-甲胺基 吡啶
CAS Number
912761-74-1
MDL Number
MFCD08061116
PubChem SID
180683257
PubChem CID
28054518

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
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Data Source Data ID
PubChem 28054518 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.17345919  LogD (pH = 7.4) 0.9824334 
Log P 1.0219457  Molar Refractivity 45.6202 cm3
Polarizability 16.77021 Å3 Polar Surface Area 34.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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