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[C3mim]Br | SBID = 2156 | Compound |
Structure
Molecular Properties
Interactions: |
1
|
PubChem TPSA/Å2: |
7.7 |
Ertl TPSA/Å2: |
7.68 |
Hydrophilicity (PubChem XLogP): |
|
Hydrophilicity (Cheng XLogP3): |
2.48 |
Charge: |
0.0 |
Number of H-Bond Donors: |
1.0 |
Number of H-Bond Acceptors: |
2.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
0.0 |
3D Volume/Å3: |
|
Sum Formula: |
C7H15BrN2 |
M / g/mol: |
207.11 |
Complexity: |
110.0 |
Number of Conformers: |
0.0 |
Identifiers
-
Tags:
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Name:
[C3mim]Br
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Preferred Abbreviation:
[C3mim]Br
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IUPAC Name:
1-methyl-3-propyl-1,2-dihydroimidazol-1-ium;bromide
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CAS:
85100-76-1
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CID:
67523553
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InChiKey:
LXKJXSIVSWFKQA-UHFFFAOYSA-N
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InChi:
InChI=1S/C7H14N2.BrH/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H
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CanoSmiles:
CCCN1C[NH+](C=C1)C.[Br-]
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IsoSmiles:
CCCN1C[NH+](C=C1)C.[Br-]