EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form

Keyword(s):

Surfactants

Molecule Category

Free-form


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	HPYJVTFKENYYFK-UHFFFAOYSA-N
Smiles	[H]N(CCOCCO)CCOCCO
InChI	InChI=1S/C8H19NO4/c10-3-7-12-5-1-9-2-6-13-8-4-11/h9-11H,1-8H2

InChI Key

HPYJVTFKENYYFK-UHFFFAOYSA-N

Smiles

[H]N(CCOCCO)CCOCCO

InChI

InChI=1S/C8H19NO4/c10-3-7-12-5-1-9-2-6-13-8-4-11/h9-11H,1-8H2

Property Name	Value
Molecular Formula	C8H19NO4
Molecular Weight	193.13
AlogP	-1.41
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	10.0
Polar Surface Area	70.95
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C8H19NO4

Molecular Weight

193.13

AlogP

-1.41

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

10.0

Polar Surface Area

70.95

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	54384-47-3
NORMAN SUSDAT
PubChem	12212447
ChemSpider	13349675.0

Resources

Reference

CAS NUMBER

54384-47-3

NORMAN SUSDAT

PubChem

12212447

ChemSpider

13349675.0


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

AMINES, TALLOW, 2+2 EO (R=H)

Structure

Physicochemical Descriptors

Cross References