EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Persistent mobile and Toxic Substances
Molecule Category	Free-form
UNII	24JO8Z0RJU
EPA CompTox	DTXSID6029123

Keyword(s):

Food Contact Chemicals ; Persistent mobile and Toxic Substances

Molecule Category

Free-form

UNII

24JO8Z0RJU

EPA CompTox

DTXSID6029123


InChI Key	OBCSAIDCZQSFQH-UHFFFAOYSA-N
Smiles	[H+].[H+].[Cl-].[Cl-].Cc1cc(N)ccc1N
InChI	InChI=1S/C7H10N2.2ClH/c1-5-4-6(8)2-3-7(5)9;;/h2-4H,8-9H2,1H3;2*1H

InChI Key

OBCSAIDCZQSFQH-UHFFFAOYSA-N

Smiles

[H+].[H+].[Cl-].[Cl-].Cc1cc(N)ccc1N

InChI

InChI=1S/C7H10N2.2ClH/c1-5-4-6(8)2-3-7(5)9;;/h2-4H,8-9H2,1H3;2*1H

Property Name	Value
Molecular Formula	C7H10N2
Molecular Weight	194.04
AlogP	2.0
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	52.04
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C7H10N2

Molecular Weight

194.04

AlogP

2.0

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

52.04

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	95-70-5
NORMAN SUSDAT
FDA SRS	24JO8Z0RJU
PubChem	7252
ChemSpider	6982.0

Resources

Reference

CAS NUMBER

95-70-5

NORMAN SUSDAT

FDA SRS

24JO8Z0RJU

PubChem

7252

ChemSpider

6982.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2-METHYL-1,4-BENZENEDIAMINE

Structure

Physicochemical Descriptors

Cross References