EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	JXN40O9Y9B
EPA CompTox	DTXSID9032537

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

JXN40O9Y9B

EPA CompTox

DTXSID9032537


InChI Key	RUPBZQFQVRMKDG-UHFFFAOYSA-M
Smiles	[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChI	InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1

InChI Key

RUPBZQFQVRMKDG-UHFFFAOYSA-M

Smiles

[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC

InChI

InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C22H48ClN
Molecular Weight	361.35
AlogP	4.35
Number of Rotational Bond	18.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C22H48ClN

Molecular Weight

361.35

AlogP

4.35

Number of Rotational Bond

18.0

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	7173-51-5
NORMAN SUSDAT
FDA SRS	JXN40O9Y9B

Resources

Reference

CAS NUMBER

7173-51-5

NORMAN SUSDAT

FDA SRS

JXN40O9Y9B

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

1-DECANAMINIUM, N-DECYL-N,N-DIMETHYL-, CHLORIDE (1:1)

Structure

Physicochemical Descriptors

Cross References