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13258-63-4 molecular structure
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2-(pyridin-4-yl)ethan-1-amine

ChemBase ID: 11276
Molecular Formular: C7H10N2
Molecular Mass: 122.1677
Monoisotopic Mass: 122.08439833
SMILES and InChIs

SMILES:
n1ccc(CCN)cc1
Canonical SMILES:
NCCc1ccncc1
InChI:
InChI=1S/C7H10N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1,4,8H2
InChIKey:
IDLHTECVNDEOIY-UHFFFAOYSA-N

Cite this record

CBID:11276 http://www.chembase.cn/molecule-11276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-4-yl)ethan-1-amine
IUPAC Traditional name
4-pyridine ethaneamine
Synonyms
(2-pyridin-4-ylethyl)amine
4-Pyridineethanamine
2-(pyridin-4-yl)ethan-1-amine
2-Pyridin-4-yl-ethylamine
2-(Pyridin-4-yl)ethylamine
4-(2-Aminoethyl)pyridine
2-(pyridin-4-yl)ethanamine
4-(2-Aminoethyl)pyridine
4-Pyridineethylamine
2-(4-Pyridyl)ethylamine
4-(2-氨基乙基)吡啶
4-(2-氨乙基)吡啶
CAS Number
13258-63-4
MDL Number
MFCD00038045
PubChem SID
160974583
24883600
PubChem CID
83275

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1017582  LogD (pH = 7.4) -2.0964503 
Log P 0.17000303  Molar Refractivity 37.1295 cm3
Polarizability 14.572318 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)
Boiling Point
104 °C/9 mmHg(lit.) expand Show data source
70-71°C/1mm expand Show data source
70-71°C/1mm expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.021 expand Show data source
1.0238 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5395 expand Show data source
n20/D 1.5380(lit.) expand Show data source
Partition Coefficient
0.018 expand Show data source
Hydrophobicity(logP)
-0.064 expand Show data source
Storage Warning
Air Sensitive expand Show data source
Corrosive/Air Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN2735 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
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280-P305+P351+P338-P309-P310 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
95% expand Show data source
95+% expand Show data source
96% expand Show data source
97% expand Show data source
min 97% expand Show data source
Empirical Formula (Hill Notation)
C7H10N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 648701 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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