Home Other Building Blocks 3,4-Dimethyl-1H-pyrrole

3,4-Dimethyl-1H-pyrrole

CAS No.:
822-51-5
Catalog Number:
AG0036G6
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$206
- +
1g
97%
1 week
United States
$439
- +
5g
97%
1 week
United States
$1196
- +
Product Description
Catalog Number:
AG0036G6
Chemical Name:
3,4-Dimethyl-1H-pyrrole
CAS Number:
822-51-5
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
MDL Number:
MFCD03427290
IUPAC Name:
3,4-dimethyl-1H-pyrrole
InChI:
InChI=1S/C6H9N/c1-5-3-7-4-6(5)2/h3-4,7H,1-2H3
InChI Key:
OJFOWGWQOFZNNJ-UHFFFAOYSA-N
SMILES:
Cc1c[nH]cc1C
Properties
Complexity:
53.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.073g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
95.145g/mol
Monoisotopic Mass:
95.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Identification of two novel pigment precursors and a reddish-purple pigment involved in the blue-green discoloration of onion and garlic. Journal of agricultural and food chemistry 20060208
Properties