Name: Name:2,5-Dimethyl-1-phenylpyrrole
Brand: Angene
SKU: AG003FZC
Rating: 90 (10 reviews)

2,5-Dimethyl-1-phenylpyrrole

CAS No.:

83-24-9

Catalog Number:

AG003FZC

Molecular Formula:

C12H13N

Molecular Weight:

171.2383

Pack Size

Purity

Availability

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Price(USD)

Quantity

95%

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United States

$157

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Product Description

Catalog Number:

AG003FZC

Chemical Name:

2,5-Dimethyl-1-phenylpyrrole

CAS Number:

83-24-9

Molecular Formula:

C12H13N

Molecular Weight:

171.2383

MDL Number:

MFCD00022464

IUPAC Name:

2,5-dimethyl-1-phenylpyrrole

InChI:

InChI=1S/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H3

InChI Key:

JNXIFVSGXLGULI-UHFFFAOYSA-N

SMILES:

Cc1ccc(n1c1ccccc1)C

EC Number:

201-461-2

NSC Number:

163170

Properties

Complexity:

151

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.243g/mol

Monoisotopic Mass:

171.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

4.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
An EPR analysis of β-dimerization in α-blocked pyrroles in oxidant conditions.	Magnetic resonance in chemistry : MRC 20110401
Energetics and molecular structure of 2,5-dimethyl-1-phenylpyrrole and 2,5-dimethyl-1-(4-nitrophenyl)pyrrole.	The journal of physical chemistry. B 20101216
Electronic effects on beta-substitution in 2,5-dimethyl-1-phenylpyrrole by alkylsulfanyl groups: EPR evidence of the asymmetry in the radical cation of beta-disubstituted derivatives.	The Journal of organic chemistry 20011130

Properties