EcoDrugPlus


Keyword(s):	Surfactants ; Indoor Environment Substances
Molecule Category	Salt-form
UNII	FC4NPE7462
EPA CompTox	DTXSID9048146

Keyword(s):

Surfactants ; Indoor Environment Substances

Molecule Category

Salt-form

UNII

FC4NPE7462

EPA CompTox

DTXSID9048146


InChI Key	UARILQSOMYIQCM-UHFFFAOYSA-N
Smiles	[Cl-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1
InChI	InChI=1S/C19H34N/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19/h11-13,15-16H,4-10,14,17-18H2,1-3H3/q+1

InChI Key

UARILQSOMYIQCM-UHFFFAOYSA-N

Smiles

[Cl-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1

InChI

InChI=1S/C19H34N/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19/h11-13,15-16H,4-10,14,17-18H2,1-3H3/q+1

Property Name	Value
Molecular Formula	C19H34N1
Molecular Weight	276.27
AlogP	5.4
Number of Rotational Bond	11.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C19H34N1

Molecular Weight

276.27

AlogP

5.4

Number of Rotational Bond

11.0

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	48185-25-7
NORMAN SUSDAT
FDA SRS	FC4NPE7462
PubChem	13763
ChemSpider	13165.0

Resources

Reference

CAS NUMBER

48185-25-7

NORMAN SUSDAT

FDA SRS

FC4NPE7462

PubChem

13763

ChemSpider

13165.0

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

DECYLDIMETHYLBENZYLAMMONIUM

Structure

Physicochemical Descriptors

Cross References