Name: Name:3-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride
Brand: Angene
SKU: AG019V0F
Rating: 90 (10 reviews)

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

CAS No.:

1181458-11-6

Catalog Number:

AG019V0F

Molecular Formula:

C13H20Cl2N2O2

Molecular Weight:

307.2161

Catalog Number:

AG019V0F

Chemical Name:

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

CAS Number:

1181458-11-6

Molecular Formula:

C13H20Cl2N2O2

Molecular Weight:

307.2161

MDL Number:

MFCD08669535

IUPAC Name:

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

InChI:

InChI=1S/C13H18N2O2.2ClH/c1-14-5-7-15(8-6-14)10-11-3-2-4-12(9-11)13(16)17;;/h2-4,9H,5-8,10H2,1H3,(H,16,17);2*1H

InChI Key:

ZLTDLHHJQFMPRC-UHFFFAOYSA-N

SMILES:

CN1CCN(CC1)Cc1cccc(c1)C(=O)O.Cl.Cl

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

306.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

307.215g/mol

Monoisotopic Mass:

306.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: