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Record Information
Version	2.0
Creation Date	2015-07-03 14:04:21 -0600
Update Date	2015-07-23 12:07:36 -0600
Secondary Accession Numbers	ECMDB23933
Identification
Name:	N-Acetyldiamine
Description
Structure	MOLSDF3D-SDFPDBSMILESInChI View 3D Structure × Structure for #<Compound:0xacd6cf5c> Close
Synonyms:	Not Available
Chemical Formula:	(CH2)nC2H6N2O
Weight:	Average: Not Available Monoisotopic: Not Available
InChI Key:	BLMIGVQIUUGRMY-UHFFFAOYSA-N
InChI:	InChI=1S/C3H8N2O/c1-3(6)5-2-4/h2,4H2,1H3,(H,5,6)
CAS number:	Not Available
IUPAC Name:	Not Available
Traditional IUPAC Name:	Not Available
SMILES:	CC(=O)NCN
Chemical Taxonomy
Description	belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl group.
Kingdom	Organic compounds
Super Class	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Sub Class	Carboxylic acid derivatives
Direct Parent	Acetamides
Alternative Parents	Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Substituents	Acetamide Secondary carboxylic acid amide Organic nitrogen compound Organic oxygen compound Organic oxide Hydrocarbon derivative Organooxygen compound Organonitrogen compound Carbonyl group Aliphatic acyclic compound
Molecular Framework	Aliphatic acyclic compounds
External Descriptors	Not Available
Physical Properties
State:	Not Available
Charge:	Not Available
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 615 g/L ALOGPS logP -1.8 ALOGPS logS 0.84 ALOGPS Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:	Acetyl-CoA + Alkane-alpha,omega-diamine <> Coenzyme A + N-Acetyldiamine
SMPDB Pathways:	Not Available
KEGG Pathways:	Arginine and proline metabolism ec00330 Metabolic pathways eco01100
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-000j-9000000000-585959783fcc16e67291 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-0002-9000000000-c51d0a52ab3eeddb4fd9 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0005-9000000000-1270da87a20e24045408 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-000b-9000000000-07fc138fd7fd00916818 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0002-9000000000-db51d4a0c4c8f96873ae View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-054o-9000000000-dc4b6101a5ec01850182 View in MoNA
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID Not Available HMDB ID Not Available Pubchem Compound ID 20395942 Kegg ID C02297 ChemSpider ID Not Available Wikipedia ID Not Available BioCyc ID Not Available