Name: Name:4-{2-azabicyclo[2.2.1]heptan-2-yl}-3-methylbenzonitrile
Brand: Angene
SKU: AG019YFY
Rating: 90 (10 reviews)

4-{2-azabicyclo[2.2.1]heptan-2-yl}-3-methylbenzonitrile

CAS No.:

1248204-26-3

Catalog Number:

AG019YFY

Molecular Formula:

C14H16N2

Molecular Weight:

212.2902

Catalog Number:

AG019YFY

Chemical Name:

4-{2-azabicyclo[2.2.1]heptan-2-yl}-3-methylbenzonitrile

CAS Number:

1248204-26-3

Molecular Formula:

C14H16N2

Molecular Weight:

212.2902

MDL Number:

MFCD14694130

IUPAC Name:

4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbenzonitrile

InChI:

InChI=1S/C14H16N2/c1-10-6-11(8-15)3-5-14(10)16-9-12-2-4-13(16)7-12/h3,5-6,12-13H,2,4,7,9H2,1H3

InChI Key:

XWVMEZAXUCNDLO-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(c(c1)C)N1CC2CC1CC2

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.296g/mol

Monoisotopic Mass:

212.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1