(z)-[3-aminopropyl(propan-2-yl)amino]-hydroxyimino-oxidoazanium (CED0194765)

Record Information

Version

1.0

Creation Date

2026-08-23 07:58:06 UTC

Update Date

2026-08-23 07:58:06 UTC

SynCED ID

CED0194765

Secondary Accession Numbers

CHEM229480

Identification

Common Name

(z)-[3-aminopropyl(propan-2-yl)amino]-hydroxyimino-oxidoazanium

Class

Small Molecule

Description

(z)-[3-aminopropyl(propan-2-yl)amino]-hydroxyimino-oxidoazanium is a chemical compound with the formula C6H16N4O2 and an average molecular weight of 176.22 g/mol. This substance has been found in or released from one recorded source: household cleaning and consumer products, specifically tobacco product cases.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₆N₄O₂

Average Molecular Mass

176.220 g/mol

Monoisotopic Mass

176.127 g/mol

CAS Registry Number

146724-82-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H16N4O2/c1-6(2)9(5-3-4-7)10(12)8-11/h6,11H,3-5,7H2,1-2H3/b10-8-

InChI Key

MTIRIKBRVALRPJ-NTMALXAHSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2478.0 Log mg/kg [1400:4400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000567	Tobacco Product Cases?Tobacco product cases can serve as a source of synthetic chemical contamination due to the presence of various additives and chemicals used in tobacco processing and product manufacturing.	Household cleaning & consumer products	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.206 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 1 E-value 10.9767
Click to view 3D structure	4-aminobutyrate aminotransferase, mitochondrial	P50554	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0118 Supporting Reference Compounds 1 E-value 92.0956
Click to view 3D structure	Glutathionylspermidine synthase	P90518	Crithidia fasciculata	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0189 Supporting Reference Compounds 1 E-value 147.291
Click to view 3D structure	Isopentenyl-diphosphate Delta-isomerase 1	O35760	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.186 Low confidence Statistical Significance 3.20e-04 Supporting Reference Compounds 1 E-value 2.49118
Click to view 3D structure	Farnesyl pyrophosphate synthase	P05369	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.186 Low confidence Statistical Significance 3.20e-04 Supporting Reference Compounds 1 E-value 2.49118
Click to view 3D structure	Spermine synthase	Q3SZA5	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 1.90e-04 Supporting Reference Compounds 1 E-value 1.47914
Click to view 3D structure	Mitochondrial 2-oxodicarboxylate carrier	Q8BZ09	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 1.90e-04 Supporting Reference Compounds 1 E-value 1.47914
Click to view 3D structure	Thrombospondin-1	P07996	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 0.0224 Supporting Reference Compounds 1 E-value 174.071
Click to view 3D structure	Deoxyhypusine synthase	Q9GSW0	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0057 Supporting Reference Compounds 1 E-value 44.6076
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.214 Low confidence Statistical Significance 0.6226 Supporting Reference Compounds 193 E-value 4846.89
Click to view 3D structure	Putative agmatine deiminase	Q8DW17	Streptococcus mutans serotype c (strain ATCC 700610 / UA159)	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.175 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.5698
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.214 Low confidence Statistical Significance 0.8151 Supporting Reference Compounds 372 E-value 6345.72
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.214 Low confidence Statistical Significance 0.7519 Supporting Reference Compounds 242 E-value 5853.64
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.214 Low confidence Statistical Significance 0.6567 Supporting Reference Compounds 172 E-value 5112.36
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.214 Low confidence Statistical Significance 0.6108 Supporting Reference Compounds 157 E-value 4754.95
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.214 Low confidence Statistical Significance 0.6722 Supporting Reference Compounds 151 E-value 5233.26
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.214 Low confidence Statistical Significance 0.7281 Supporting Reference Compounds 165 E-value 5668.44
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.214 Low confidence Statistical Significance 0.866 Supporting Reference Compounds 332 E-value 6741.9
Click to view 3D structure	Deoxyhypusine synthase	Q6AY53	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.19 Low confidence Statistical Significance 0.0047 Supporting Reference Compounds 3 E-value 36.7448
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.164 Low confidence Statistical Significance 0.9585 Supporting Reference Compounds 400 E-value 7462.24
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.176 Low confidence Statistical Significance 0.9551 Supporting Reference Compounds 472 E-value 7435.22
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.176 Low confidence Statistical Significance 0.9365 Supporting Reference Compounds 407 E-value 7290.66
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.214 Low confidence Statistical Significance 0.6651 Supporting Reference Compounds 78 E-value 5177.75
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.156 Low confidence Statistical Significance 0.9473 Supporting Reference Compounds 292 E-value 7374.5
Click to view 3D structure	Sodium/hydrogen exchanger 1	P23791	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.153 Low confidence Statistical Significance 0.0318 Supporting Reference Compounds 1 E-value 247.95