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Home Other Building Blocks 3,4-Diethylpyrrole

3,4-Diethylpyrrole

CAS No.:
16200-52-5
Catalog Number:
AG001SN2
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$652
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5g
1 week
United States
$2420
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Product Description
Catalog Number:
AG001SN2
Chemical Name:
3,4-Diethylpyrrole
CAS Number:
16200-52-5
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD08062571
IUPAC Name:
3,4-diethyl-1H-pyrrole
InChI:
InChI=1S/C8H13N/c1-3-7-5-9-6-8(7)4-2/h5-6,9H,3-4H2,1-2H3
InChI Key:
XMYRJQYUMXCUNX-UHFFFAOYSA-N
SMILES:
CCc1c[nH]cc1CC
Properties
Complexity:
70.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Electrochemical syntheses of cyclo[n]pyrrole. Chemistry (Weinheim an der Bergstrasse, Germany) 20100618
Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations. Organic & biomolecular chemistry 20041207
Contracted and expanded meso-alkynyl porphyrinoids: from triphyrin to hexaphyrin. The Journal of organic chemistry 20030207
Properties