EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	5BH27U8GG4
EPA CompTox	DTXSID9042170

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

5BH27U8GG4

EPA CompTox

DTXSID9042170


InChI Key	ZMSQJSMSLXVTKN-UHFFFAOYSA-N
Smiles	C(CN1CCOCC1)OCCN1CCOCC1
InChI	InChI=1S/C12H24N2O3/c1-7-15-8-2-13(1)5-11-17-12-6-14-3-9-16-10-4-14/h1-12H2

InChI Key

ZMSQJSMSLXVTKN-UHFFFAOYSA-N

Smiles

C(CN1CCOCC1)OCCN1CCOCC1

InChI

InChI=1S/C12H24N2O3/c1-7-15-8-2-13(1)5-11-17-12-6-14-3-9-16-10-4-14/h1-12H2

Property Name	Value
Molecular Formula	C12H24N2O3
Molecular Weight	244.18
AlogP	-0.33
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	6.0
Polar Surface Area	34.17
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C12H24N2O3

Molecular Weight

244.18

AlogP

-0.33

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

6.0

Polar Surface Area

34.17

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	6425-39-4
NORMAN SUSDAT
FDA SRS	5BH27U8GG4
PubChem	80900
ChemSpider	73018.0

Resources

Reference

CAS NUMBER

6425-39-4

NORMAN SUSDAT

FDA SRS

5BH27U8GG4

PubChem

80900

ChemSpider

73018.0

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

4,4'-(OXYDIETHYLENE)BIS(MORPHOLINE)

Structure

Physicochemical Descriptors

Cross References