EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	J4B9M5MJ69
EPA CompTox	DTXSID60226188

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

J4B9M5MJ69

EPA CompTox

DTXSID60226188


InChI Key	NZRFSLMXTFGVGZ-UHFFFAOYSA-N
Smiles	CCN(CC)P(=O)(OCC=C)N(CC)CC
InChI	InChI=1S/C11H25N2O2P/c1-6-11-15-16(14,12(7-2)8-3)13(9-4)10-5/h6H,1,7-11H2,2-5H3

InChI Key

NZRFSLMXTFGVGZ-UHFFFAOYSA-N

Smiles

CCN(CC)P(=O)(OCC=C)N(CC)CC

InChI

InChI=1S/C11H25N2O2P/c1-6-11-15-16(14,12(7-2)8-3)13(9-4)10-5/h6H,1,7-11H2,2-5H3

Property Name	Value
Molecular Formula	C11H25N2O2P1
Molecular Weight	248.17
AlogP	2.98
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	32.78
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H25N2O2P1

Molecular Weight

248.17

AlogP

2.98

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

32.78

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	75219-49-7
NORMAN SUSDAT
FDA SRS	J4B9M5MJ69
PubChem	53471601
ChemSpider	21163083.0

Resources

Reference

CAS NUMBER

75219-49-7

NORMAN SUSDAT

FDA SRS

J4B9M5MJ69

PubChem

53471601

ChemSpider

21163083.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ALLYL TETRAETHYLDIAMIDOPHOSPHATE

Structure

Physicochemical Descriptors

Cross References