Home Other Building Blocks 2-Ethylpyrrole

2-Ethylpyrrole

CAS No.:
1551-06-0
Catalog Number:
AG0033AW
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$103
- +
5g
95%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG0033AW
Chemical Name:
2-Ethylpyrrole
CAS Number:
1551-06-0
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
MDL Number:
MFCD00060477
IUPAC Name:
2-ethyl-1H-pyrrole
InChI:
InChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h3-5,7H,2H2,1H3
InChI Key:
XRPDDDRNQJNHLQ-UHFFFAOYSA-N
SMILES:
CCc1ccc[nH]1
Properties
Complexity:
52.1  
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:
1  
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Modeling the photochemistry of the reference phototoxic drug lomefloxacin by steady-state and time-resolved experiments, and DFT and post-HF calculations. Chemistry (Weinheim an der Bergstrasse, Germany) 20080101
Properties