Name: Name:4-{[2-(piperazin-1-yl)ethyl]amino}benzoic acid dihydrochloride
Brand: Angene
SKU: AG01C0AI
Rating: 90 (10 reviews)

4-{[2-(piperazin-1-yl)ethyl]amino}benzoic acid dihydrochloride

CAS No.:

2059948-88-6

Catalog Number:

AG01C0AI

Molecular Formula:

C13H21Cl2N3O2

Molecular Weight:

322.2307

Catalog Number:

AG01C0AI

Chemical Name:

4-{[2-(piperazin-1-yl)ethyl]amino}benzoic acid dihydrochloride

CAS Number:

2059948-88-6

Molecular Formula:

C13H21Cl2N3O2

Molecular Weight:

322.2307

MDL Number:

MFCD30497902

IUPAC Name:

4-(2-piperazin-1-ylethylamino)benzoic acid;dihydrochloride

InChI:

InChI=1S/C13H19N3O2.2ClH/c17-13(18)11-1-3-12(4-2-11)15-7-10-16-8-5-14-6-9-16;;/h1-4,14-15H,5-10H2,(H,17,18);2*1H

InChI Key:

MMRANHTXVFSUGX-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)NCCN1CCNCC1.Cl.Cl

Complexity:

259

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

322.23g/mol

Monoisotopic Mass:

321.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: