EcoDrugPlus


Keyword(s):	Indoor Environment Substances ; Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
UNII	UE40BY1BZW
EPA CompTox	DTXSID9021764

Keyword(s):

Indoor Environment Substances ; Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

UNII

UE40BY1BZW

EPA CompTox

DTXSID9021764


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	HXKKHQJGJAFBHI-UHFFFAOYSA-N
Smiles	CC(O)CN
InChI	InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3

InChI Key

HXKKHQJGJAFBHI-UHFFFAOYSA-N

Smiles

CC(O)CN

InChI

InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3

Property Name	Value
Molecular Formula	C3H9N1O1
Molecular Weight	75.07
AlogP	-0.67
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	46.25
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

C3H9N1O1

Molecular Weight

75.07

AlogP

-0.67

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

46.25

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

5.0

Resources	Reference
CAS NUMBER	78-96-6
NORMAN SUSDAT
FDA SRS	UE40BY1BZW
PubChem	4
ChemSpider	3.0

Resources

Reference

CAS NUMBER

78-96-6

NORMAN SUSDAT

FDA SRS

UE40BY1BZW

PubChem

ChemSpider

3.0


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).

1-AMINO-2-PROPANOL

Structure

Physicochemical Descriptors

Cross References