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3528-58-3 molecular structure
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1-ethyl-1H-pyrazol-5-amine

ChemBase ID: 53062
Molecular Formular: C5H9N3
Molecular Mass: 111.14506
Monoisotopic Mass: 111.0796473
SMILES and InChIs

SMILES:
c1(ccnn1CC)N
Canonical SMILES:
CCn1nccc1N
InChI:
InChI=1S/C5H9N3/c1-2-8-5(6)3-4-7-8/h3-4H,2,6H2,1H3
InChIKey:
FSJOLBAFVKSQQJ-UHFFFAOYSA-N

Cite this record

CBID:53062 http://www.chembase.cn/molecule-53062.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-1H-pyrazol-5-amine
IUPAC Traditional name
2-ethylpyrazol-3-amine
Synonyms
1-Ethyl-1H-pyrazol-5-amine
1-Ethyl-1H-pyrazol-5-amine
5-Amino-1-ethyl-1H-pyrazole
5-Amino-1-Ethylpyrazole
5-Amino-1-ethylpyrazole
5-氨基-1-乙基吡唑
CAS Number
3528-58-3
MDL Number
MFCD00010849
PubChem SID
162057825
24857809
PubChem CID
337310

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.01449982  LogD (pH = 7.4) 0.018231101 
Log P 0.018278884  Molar Refractivity 43.6637 cm3
Polarizability 11.875834 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
52 - 57°C expand Show data source
52-57 °C(lit.) expand Show data source
52-57°C expand Show data source
Boiling Point
92-94 °C/0.01 mmHg(lit.) expand Show data source
92-94°C/0.01mm expand Show data source
Flash Point
113 °C expand Show data source
113°C expand Show data source
235.4 °F expand Show data source
Hydrophobicity(logP)
0.0010 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Hygroscopic 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
TSCA Listed
false 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
98% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C5H9N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 295760 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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