EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Drinking Water Chemicals ; Plastic additives
Molecule Category	Salt-form
EPA CompTox	DTXSID2044682

Keyword(s):

Food Contact Chemicals ; Drinking Water Chemicals ; Plastic additives

Molecule Category

Salt-form

EPA CompTox

DTXSID2044682


InChI Key	UZNHKBFIBYXPDV-UHFFFAOYSA-N
Smiles	[Cl-].CC(=C)C(=O)NCCC[N+](C)(C)C
InChI	InChI=1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H

InChI Key

UZNHKBFIBYXPDV-UHFFFAOYSA-N

Smiles

[Cl-].CC(=C)C(=O)NCCC[N+](C)(C)C

InChI

InChI=1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H

Property Name	Value
Molecular Formula	C10H21ClN2O
Molecular Weight	220.13
AlogP	0.84
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	35.42
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H21ClN2O

Molecular Weight

220.13

AlogP

0.84

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

35.42

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	51410-72-1
NORMAN SUSDAT
PubChem	106428
ChemSpider	95820.0

Resources

Reference

CAS NUMBER

51410-72-1

NORMAN SUSDAT

PubChem

106428

ChemSpider

95820.0

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,N-TRIMETHYL-3-[(2-METHYLACRYLOYL)AMINO]PROPAN-1-AMINIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References