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40154-81-2 molecular structure
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1-(pyridin-2-yl)ethan-1-amine

ChemBase ID: 14687
Molecular Formular: C7H10N2
Molecular Mass: 122.1677
Monoisotopic Mass: 122.08439833
SMILES and InChIs

SMILES:
n1c(C(N)C)cccc1
Canonical SMILES:
CC(c1ccccn1)N
InChI:
InChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h2-6H,8H2,1H3
InChIKey:
PDNHLCRMUIGNBV-UHFFFAOYSA-N

Cite this record

CBID:14687 http://www.chembase.cn/molecule-14687.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyridin-2-yl)ethan-1-amine
IUPAC Traditional name
1-(pyridin-2-yl)ethanamine
Synonyms
alpha-Methyl-2-pyridinemethylamine
1-(2-Pyridyl)ethylamine
1-Pyridin-2-ylethanamine
1-Pyridin-2-yl-ethylamine
1-(Pyridin-2-yl)ethylamine
2-(1-Aminoethyl)pyridine
(1-pyridin-2-ylethyl)amine
1-(Pyridin-2-yl)ethanaMine
1-(2-吡啶)乙胺
CAS Number
40154-81-2
42088-91-5
MDL Number
MFCD05215238
PubChem SID
160977994
PubChem CID
541877

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3010938  LogD (pH = 7.4) -0.8411685 
Log P 0.53157794  Molar Refractivity 36.3462 cm3
Polarizability 14.650816 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
178 - 180°C expand Show data source
Partition Coefficient
0.353 expand Show data source
Hydrophobicity(logP)
-0.094 expand Show data source
Storage Warning
Air Sensitive expand Show data source
Corrosive/Store under inert gas expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
96% expand Show data source
97% expand Show data source
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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