EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID801334927

Keyword(s):

Drinking Water Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID801334927


InChI Key	FEBXQZCZEKDGEZ-UHFFFAOYSA-N
Smiles	P(=O)(O)(O)[O-].C(CC)[NH+](CCC)CCC
InChI	InChI=1S/C9H21N.H3O4P/c1-4-7-10(8-5-2)9-6-3;1-5(2,3)4/h4-9H2,1-3H3;(H3,1,2,3,4)

InChI Key

FEBXQZCZEKDGEZ-UHFFFAOYSA-N

Smiles

P(=O)(O)(O)[O-].C(CC)[NH+](CCC)CCC

InChI

InChI=1S/C9H21N.H3O4P/c1-4-7-10(8-5-2)9-6-3;1-5(2,3)4/h4-9H2,1-3H3;(H3,1,2,3,4)

Property Name	Value
Molecular Formula	C9H24NO4P
Molecular Weight	241.14
AlogP	1.59
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	81.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C9H24NO4P

Molecular Weight

241.14

AlogP

1.59

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

81.0

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	35687-90-2
NORMAN SUSDAT
PubChem	20242299
ChemSpider	15236218.0

Resources

Reference

CAS NUMBER

35687-90-2

NORMAN SUSDAT

PubChem

20242299

ChemSpider

15236218.0

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-DIPROPYL-1-PROPANAMINE PHOSPHATE (1:1)

Structure

Physicochemical Descriptors

Cross References