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Molecule
ID:85942
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKey
ULKLGIFJWFIQFF-UHFFFAOYSA-N
Canonic Smiles
CCc1[nH]cc(n1)C
Isomeric Smiles
[nH]1c(nc(c1)C)CC
Calculated Properties
JChem
Acid pKa
15.173243
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.5305563
LogD (pH = 7.4)
0.5847014
Log P
0.80974656
Molar Refractivity
32.6719
Polarizability
12.5100975
Polar Surface Area
28.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC name
•
IUPAC Traditional name
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
•
MP Biomedicals
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05220527
InterBioScreen
BB_SC-5574
Apollo Scientific
OR2904
Sigma Aldrich
E36652
04360
Alfa Aesar
A15798
A&J Pharmtech
AJA-O11110
Academic Data
PubChem
70262
Names and Identifiers
Synonyms
2-Ethyl-4-methyl-1H-imidazole
2-ETHYL-4-METHYLIMIDAZOLE
2-乙基-4-甲基咪唑
2-Ethyl-4-methylimidazole
IUPAC name
2-ethyl-4-methyl-1H-imidazole
IUPAC Traditional name
2-ethyl-4-methyl-1H-imidazole
Registration numbers
EC Number
213-234-5
CAS Number
931-36-2
MDL Number
MFCD00005193
PubChem SID
24894341
24845726
162073058
Beilstein Number
1711
PubChem CID
70262
Molecule Details
MP Biomedicals
05220527
MP Biomedicals Rare Chemical collection
Sigma Aldrich
E36652
Packaging
5, 100 g in glass bottle
04360
Physical form
solidified melt or viscous liquid
References
PubChem Literature
From Data Sources
•
Building block in synthesis of imidazoquinazolines as cardiovascular agents:
J. Med. Chem.
,
34
, 2671 (1991).
Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
CAS Number
•
MDL Number
•
PubChem SID
•
Beilstein Number
•
PubChem CID
Properties
•
Safety Information
•
Product Information
•
Physical Property
Properties
Safety Information
Storage Warning
Irritant/Harmful
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
European Hazard Symbols
Harmful (Xn)
Source
Harmful (X)
Danger
Source
22
-
41
Source
22
-
37/38
-
41
Source
2
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
26
-
39
Source
26
-
36/37/39
Source
H302
-
H318
Source
H301
-
H315
-
H335
-
H318
Source
P280
-
P305+P351+P338
Source
P261
-
P301+P310
-
P305+P351+P338
-
P302+P352
-
P405
-P501A
Source
dust mask type N95 (US), Eyeshields, Gloves
Source
NI6147500
Source
是
Source
Product Information
Download link
Source
C6H10N2
Source
95%
Source
≥98.0% (NT)
Source
96%
Source
97%
Source
Physical Property
0.975 g/mL at 25 °C(lit.)
Source
0.973
Source
278.6 °F
Source
137 °C
Source
137°C(278°F)
Source
n20/D 1.5(lit.)
Source
1.5 00
Source
Source
Source
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Source
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Source
purum
Source
Melting Point
47-54 °C(lit.)
Source
~50 °C
Source
45-49°C
Source
Boiling Point
292-295 °C(lit.)
Source
292-295°C
Source
GHS Signal Word
Risk Statements
German water hazard class
GHS Pictograms
Safety Statements
GHS Hazard statements
GHS Precautionary statements
Personal Protective Equipment
RTECS
TSCA Listed
Certificate of Analysis
Empirical Formula (Hill Notation)
Purity
Grade
Density
Flash Point
Refractive Index