EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	7GZH2FMK7X
EPA CompTox	DTXSID6025149

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

7GZH2FMK7X

EPA CompTox

DTXSID6025149


InChI Key	BZORFPDSXLZWJF-UHFFFAOYSA-N
Smiles	CN(C)c1ccc(N)cc1
InChI	InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3

InChI Key

BZORFPDSXLZWJF-UHFFFAOYSA-N

Smiles

CN(C)c1ccc(N)cc1

InChI

InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3

Property Name	Value
Molecular Formula	C8H12N2
Molecular Weight	136.1
AlogP	1.33
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	29.26
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H12N2

Molecular Weight

136.1

AlogP

1.33

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

29.26

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	99-98-9
NORMAN SUSDAT
FDA SRS	7GZH2FMK7X
PubChem	7472
ChemSpider	13884246.0

Resources

Reference

CAS NUMBER

99-98-9

NORMAN SUSDAT

FDA SRS

7GZH2FMK7X

PubChem

7472

ChemSpider

13884246.0

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

N,N-DIMETHYL-P-PHENYLENEDIAMINE

Structure

Physicochemical Descriptors

Cross References