EcoDrugPlus


Keyword(s):	Surfactants ; Food Contact Chemicals ; Indoor Environment Substances
Molecule Category	Free-form
UNII	G387VUT5EZ
EPA CompTox	DTXSID7042190

Keyword(s):

Surfactants ; Food Contact Chemicals ; Indoor Environment Substances

Molecule Category

Free-form

UNII

G387VUT5EZ

EPA CompTox

DTXSID7042190


InChI Key	ZRKZFNZPJKEWPC-UHFFFAOYSA-N
Smiles	N(C)(CCCCCCCCCC)(C)=O
InChI	InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3

InChI Key

ZRKZFNZPJKEWPC-UHFFFAOYSA-N

Smiles

N(C)(CCCCCCCCCC)(C)=O

InChI

InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3

Property Name	Value
Molecular Formula	C12H27N1O1
Molecular Weight	201.21
AlogP	3.7
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	23.06
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H27N1O1

Molecular Weight

201.21

AlogP

3.7

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

9.0

Polar Surface Area

23.06

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	2605-79-0
NORMAN SUSDAT
FDA SRS	G387VUT5EZ
PubChem	62452
ChemSpider	56233.0

Resources

Reference

CAS NUMBER

2605-79-0

NORMAN SUSDAT

FDA SRS

G387VUT5EZ

PubChem

62452

ChemSpider

56233.0

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...

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Last update: Monday, 3 November 2025

N,N-DIMETHYLDECYLAMINE OXIDE

Structure

Physicochemical Descriptors

Cross References