Name: Name:4-[(3-methylpiperazin-1-yl)methyl]benzonitrile dihydrochloride
Brand: Angene
SKU: AG01AC0B
Rating: 90 (10 reviews)

4-[(3-methylpiperazin-1-yl)methyl]benzonitrile dihydrochloride

CAS No.:

1461714-91-9

Catalog Number:

AG01AC0B

Molecular Formula:

C13H19Cl2N3

Molecular Weight:

288.2161

Catalog Number:

AG01AC0B

Chemical Name:

4-[(3-methylpiperazin-1-yl)methyl]benzonitrile dihydrochloride

CAS Number:

1461714-91-9

Molecular Formula:

C13H19Cl2N3

Molecular Weight:

288.2161

MDL Number:

MFCD26407815

IUPAC Name:

4-[(3-methylpiperazin-1-yl)methyl]benzonitrile;dihydrochloride

InChI:

InChI=1S/C13H17N3.2ClH/c1-11-9-16(7-6-15-11)10-13-4-2-12(8-14)3-5-13;;/h2-5,11,15H,6-7,9-10H2,1H3;2*1H

InChI Key:

DDIYECWEHBUYCA-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)CN1CCNC(C1)C.Cl.Cl

Complexity:

260

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.216g/mol

Monoisotopic Mass:

287.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: