Name: Name:2-(4-methylpiperazin-1-yl)-5-nitrobenzonitrile
Brand: Angene
SKU: AG00DIXH
Rating: 90 (10 reviews)

2-(4-methylpiperazin-1-yl)-5-nitrobenzonitrile

CAS No.:

451459-92-0

Catalog Number:

AG00DIXH

Molecular Formula:

C12H14N4O2

Molecular Weight:

246.2652

Catalog Number:

AG00DIXH

Chemical Name:

2-(4-methylpiperazin-1-yl)-5-nitrobenzonitrile

CAS Number:

451459-92-0

Molecular Formula:

C12H14N4O2

Molecular Weight:

246.2652

MDL Number:

MFCD02939906

IUPAC Name:

2-(4-methylpiperazin-1-yl)-5-nitrobenzonitrile

InChI:

InChI=1S/C12H14N4O2/c1-14-4-6-15(7-5-14)12-3-2-11(16(17)18)8-10(12)9-13/h2-3,8H,4-7H2,1H3

InChI Key:

LFOKDMGRKXOPEC-UHFFFAOYSA-N

SMILES:

N#Cc1cc(ccc1N1CCN(CC1)C)[N+](=O)[O-]

Complexity:

351

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.27g/mol

Monoisotopic Mass:

246.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4