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Home Other Building Blocks 2,4-Dimethylpyrrole

2,4-Dimethylpyrrole

CAS No.:
625-82-1
Catalog Number:
AG0035Y0
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$32
- +
5g
96%
In Stock USA
United States
$69
- +
10g
96%
In Stock USA
United States
$113
- +
25g
96%
In Stock USA
United States
$275
- +
100g
96%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG0035Y0
Chemical Name:
2,4-Dimethylpyrrole
CAS Number:
625-82-1
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
MDL Number:
MFCD00192088
IUPAC Name:
2,4-dimethyl-1H-pyrrole
InChI:
InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3
InChI Key:
MFFMQGGZCLEMCI-UHFFFAOYSA-N
SMILES:
Cc1[nH]cc(c1)C
EC Number:
210-912-2
UNII:
YNQ49M599X
NSC Number:
81347
Properties
Complexity:
61.2  
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:
1.5  
Literature
Title Journal
4,4-Difluoro-8-(4-iodo-phen-yl)-1,3,5,7-tetra-methyl-3a-aza-4a-azonia-4-borata-s-indacene. Acta crystallographica. Section E, Structure reports online 20120501
High-affinity fluorescent ligands for the 5-HT(3) receptor. Bioorganic & medicinal chemistry letters 20120115
{2-[(3,5-Dimethyl-2H-pyrrol-2-yl-idene-κN)(4-nitro-phen-yl)meth-yl]-3,5-dimethyl-1H-pyrrol-1-ido-κN}difluoridoboron. Acta crystallographica. Section E, Structure reports online 20120101
4-(4,4-Difluoro-1,3,5,7-tetra-methyl-3a-aza-4a-azonia-4-borata-s-indacen-8-yl)benzonitrile. Acta crystallographica. Section E, Structure reports online 20110401
Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole. Acta crystallographica. Section C, Crystal structure communications 20050901
Properties