EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form


InChI Key	KZIJNRLRXPJQLL-UHFFFAOYSA-N
Smiles	CC(C)O[Al]CCCl
InChI	InChI=1S/C3H7O.C2H4Cl.Al/c1-3(2)4;1-2-3;/h3H,1-2H3;1-2H2;/q-1;;+1

InChI Key

KZIJNRLRXPJQLL-UHFFFAOYSA-N

Smiles

CC(C)O[Al]CCCl

InChI

InChI=1S/C3H7O.C2H4Cl.Al/c1-3(2)4;1-2-3;/h3H,1-2H3;1-2H2;/q-1;;+1

Property Name	Value
Molecular Formula	C5H11AlClO
Molecular Weight	149.03
AlogP	0.43
Hydrogen Bond Acceptor	1.0
Polar Surface Area	23.06
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C5H11AlClO

Molecular Weight

149.03

AlogP

0.43

Hydrogen Bond Acceptor

1.0

Polar Surface Area

23.06

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	83833-19-6
NORMAN SUSDAT
PubChem	91844539

Resources

Reference

CAS NUMBER

83833-19-6

NORMAN SUSDAT

PubChem

91844539


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).

ALUMINUM, CHLOROETHYL(2-PROPANOLATO)-

Structure

Physicochemical Descriptors

Cross References