EcoDrugPlus


Keyword(s):	Surfactants ; Indoor Environment Substances
Molecule Category	Free-form
UNII	I5M8YK41GK
EPA CompTox	DTXSID3048360

Keyword(s):

Surfactants ; Indoor Environment Substances

Molecule Category

Free-form

UNII

I5M8YK41GK

EPA CompTox

DTXSID3048360


InChI Key	WNBGYVXHFTYOBY-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
InChI	InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1

InChI Key

WNBGYVXHFTYOBY-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1

InChI

InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1

Property Name	Value
Molecular Formula	C23H42N1
Molecular Weight	332.33
AlogP	6.96
Number of Rotational Bond	15.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C23H42N1

Molecular Weight

332.33

AlogP

6.96

Number of Rotational Bond

15.0

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	16287-71-1
NORMAN SUSDAT
FDA SRS	I5M8YK41GK
PubChem	8756
ChemSpider	8426.0

Resources

Reference

CAS NUMBER

16287-71-1

NORMAN SUSDAT

FDA SRS

I5M8YK41GK

PubChem

8756

ChemSpider

8426.0

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

BENZYLDIMETHYLTETRADECYLAMMONIUM

Structure

Physicochemical Descriptors

Cross References