EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Salt-form
UNII	L161N5V81P
EPA CompTox	DTXSID1020433

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Salt-form

UNII

L161N5V81P

EPA CompTox

DTXSID1020433


InChI Key	BXAONUZFBUNTQR-UHFFFAOYSA-N
Smiles	Cl.Cl.Nc1ccc(cc1Cl)-c1ccc(N)c(Cl)c1
InChI	InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H

InChI Key

BXAONUZFBUNTQR-UHFFFAOYSA-N

Smiles

Cl.Cl.Nc1ccc(cc1Cl)-c1ccc(N)c(Cl)c1

InChI

InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H

Property Name	Value
Molecular Formula	C12H12Cl4N2
Molecular Weight	323.98
AlogP	4.67
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	52.04
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C12H12Cl4N2

Molecular Weight

323.98

AlogP

4.67

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

52.04

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	612-83-9
NORMAN SUSDAT
FDA SRS	L161N5V81P
PubChem	11933

Resources

Reference

CAS NUMBER

612-83-9

NORMAN SUSDAT

FDA SRS

L161N5V81P

PubChem

11933

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

3,3'-DICHLOROBENZIDINE DIHYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References