EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	O0V97PV2G1
EPA CompTox	DTXSID1027504

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

O0V97PV2G1

EPA CompTox

DTXSID1027504


InChI Key	JKNCOURZONDCGV-UHFFFAOYSA-N
Smiles	CN(C)CCOC(=O)C(C)=C
InChI	InChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h1,5-6H2,2-4H3

InChI Key

JKNCOURZONDCGV-UHFFFAOYSA-N

Smiles

CN(C)CCOC(=O)C(C)=C

InChI

InChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h1,5-6H2,2-4H3

Property Name	Value
Molecular Formula	C8H15N1O2
Molecular Weight	157.11
AlogP	0.67
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	29.54
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H15N1O2

Molecular Weight

157.11

AlogP

0.67

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

29.54

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	2867-47-2
NORMAN SUSDAT
FDA SRS	O0V97PV2G1
PubChem	17869
ChemSpider	16879.0

Resources

Reference

CAS NUMBER

2867-47-2

NORMAN SUSDAT

FDA SRS

O0V97PV2G1

PubChem

17869

ChemSpider

16879.0


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).

2-(DIMETHYLAMINO)ETHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References