EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	OC19CZY82T
EPA CompTox	DTXSID6041634

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

OC19CZY82T

EPA CompTox

DTXSID6041634


InChI Key	PXFDQFDPXWHEEP-UHFFFAOYSA-M
Smiles	[Cl-].C=1C=CC(=CC1)C[N+](C)(C)CCCCCCCC
InChI	InChI=1/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1

InChI Key

PXFDQFDPXWHEEP-UHFFFAOYSA-M

Smiles

[Cl-].C=1C=CC(=CC1)C[N+](C)(C)CCCCCCCC

InChI

InChI=1/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C17H30N
Molecular Weight	283.21
AlogP	1.63
Number of Rotational Bond	9.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C17H30N

Molecular Weight

283.21

AlogP

1.63

Number of Rotational Bond

9.0

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	959-55-7
NORMAN SUSDAT
FDA SRS	OC19CZY82T
PubChem	13740

Resources

Reference

CAS NUMBER

959-55-7

NORMAN SUSDAT

FDA SRS

OC19CZY82T

PubChem

13740

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...

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Last update: Monday, 3 November 2025

BENZYLDIMETHYLOCTYLAMMONIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References