EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	A81MSI0FIC
EPA CompTox	DTXSID1026900

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

A81MSI0FIC

EPA CompTox

DTXSID1026900


InChI Key	DDXLVDQZPFLQMZ-UHFFFAOYSA-M
Smiles	[Cl-].CCCCCCCCCCCC[N+](C)(C)C
InChI	InChI=1/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1

InChI Key

DDXLVDQZPFLQMZ-UHFFFAOYSA-M

Smiles

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

InChI

InChI=1/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C15H34ClN
Molecular Weight	263.24
AlogP	1.62
Number of Rotational Bond	11.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H34ClN

Molecular Weight

263.24

AlogP

1.62

Number of Rotational Bond

11.0

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	112-00-5
NORMAN SUSDAT
FDA SRS	A81MSI0FIC

Resources

Reference

CAS NUMBER

112-00-5

NORMAN SUSDAT

FDA SRS

A81MSI0FIC

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

DODECYLTRIMETHYLAMMONIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References