EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID40388596

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID40388596


InChI Key	UJGASLPMQXIPEY-UHFFFAOYSA-M
Smiles	[Cl-].CCC[N+](CCC)(CCC)CC(O)CCl
InChI	InChI=1S/C12H27ClNO.ClH/c1-4-7-14(8-5-2,9-6-3)11-12(15)10-13;/h12,15H,4-11H2,1-3H3;1H/q+1;/p-1

InChI Key

UJGASLPMQXIPEY-UHFFFAOYSA-M

Smiles

[Cl-].CCC[N+](CCC)(CCC)CC(O)CCl

InChI

InChI=1S/C12H27ClNO.ClH/c1-4-7-14(8-5-2,9-6-3)11-12(15)10-13;/h12,15H,4-11H2,1-3H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C12H27Cl2NO
Molecular Weight	271.15
AlogP	-0.36
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	20.23
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C12H27Cl2NO

Molecular Weight

271.15

AlogP

-0.36

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

9.0

Polar Surface Area

20.23

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	132186-00-6
NORMAN SUSDAT
PubChem	3026446

Resources

Reference

CAS NUMBER

132186-00-6

NORMAN SUSDAT

PubChem

3026446

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

3-CHLORO-2-HYDROXYPROPYL-N,N,N-TRIPROPYLAMMONIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References