EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	YG927OP0BK
EPA CompTox	DTXSID4029307

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

YG927OP0BK

EPA CompTox

DTXSID4029307


InChI Key	CKKXWJDFFQPBQL-SEPHDYHBSA-N
Smiles	[NH4+].[NH4+].[O-]C(=O)\C=C\C(=O)[O-]
InChI	InChI=1/C4H4O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);2*1H3

InChI Key

CKKXWJDFFQPBQL-SEPHDYHBSA-N

Smiles

[NH4+].[NH4+].[O-]C(=O)\C=C\C(=O)[O-]

InChI

InChI=1/C4H4O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);2*1H3

Property Name	Value
Molecular Formula	C4H4O4.2H3N
Molecular Weight	150.06
AlogP	0.04
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	144.6
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C4H4O4.2H3N

Molecular Weight

150.06

AlogP

0.04

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

144.6

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	14548-85-7
NORMAN SUSDAT
FDA SRS	YG927OP0BK

Resources

Reference

CAS NUMBER

14548-85-7

NORMAN SUSDAT

FDA SRS

YG927OP0BK

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

DIAMMONIUM FUMARATE

Structure

Physicochemical Descriptors

Cross References