Name: Name:3-methyl-4-(3-methylpyrrolidin-1-yl)benzonitrile
Brand: Angene
SKU: AG019YM6
Rating: 90 (10 reviews)

3-methyl-4-(3-methylpyrrolidin-1-yl)benzonitrile

CAS No.:

1247450-79-8

Catalog Number:

AG019YM6

Molecular Formula:

C13H16N2

Molecular Weight:

200.2795

Catalog Number:

AG019YM6

Chemical Name:

3-methyl-4-(3-methylpyrrolidin-1-yl)benzonitrile

CAS Number:

1247450-79-8

Molecular Formula:

C13H16N2

Molecular Weight:

200.2795

MDL Number:

MFCD14601333

IUPAC Name:

3-methyl-4-(3-methylpyrrolidin-1-yl)benzonitrile

InChI:

InChI=1S/C13H16N2/c1-10-5-6-15(9-10)13-4-3-12(8-14)7-11(13)2/h3-4,7,10H,5-6,9H2,1-2H3

InChI Key:

NARAHNAVWNUYDQ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(c(c1)C)N1CCC(C1)C

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.285g/mol

Monoisotopic Mass:

200.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1