1-Propanamine, 3-(diethoxymethylsilyl)- (CED0061702)

Record Information

Version

1.0

Creation Date

2016-05-19 03:44:45 UTC

Update Date

2026-08-24 18:20:49 UTC

Accession Number

CHEM011786

Identification

Common Name

1-Propanamine, 3-(diethoxymethylsilyl)-

Class

Small Molecule

Description

1-Propanamine, 3-(diethoxymethylsilyl)- (C8H21NO2Si) is a chemical compound with an average molecular weight of 191.35 g/mol. 1-Propanamine, 3-(diethoxymethylsilyl)- belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. In industrial applications, this substance serves as a chemical reaction regulator and an adhesion/cohesion promoter. It has been identified in 14 recorded sources. Within the category of electrical and electronic equipment, it is found in amplifiers, antennas, cores yokes or armatures, electric switches, and electrically stimulated smoking devices, among three other items. In building and construction, the compound is present in ceilings, fencing, floors, and roofs. Additionally, it has been detected in drinking water and water supply, as well as in household cleaning and consumer products, specifically tobacco smoke filters. The recorded exposure route for this compound is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₂₁NO₂Si

Average Molecular Mass

191.346 g/mol

Monoisotopic Mass

191.134 g/mol

CAS Registry Number

3179-76-8

IUPAC Name

(3-aminopropyl)diethoxymethylsilane

Traditional Name

(3-aminopropyl)diethoxymethylsilane

SMILES

CCO[Si](C)(CCCN)OCC

InChI Identifier

InChI=1S/C8H21NO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-9H2,1-3H3

InChI Key

HXLAEGYMDGUSBD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkoxysilanes. These are organosilicon compounds with the general formula RO[Si](OR')(R'')(R''') (R,R' = organyl; R'',R''' = any atom).

Kingdom

Organic compounds

Super Class

Organometallic compounds

Class

Organometalloid compounds

Sub Class

Organosilicon compounds

Direct Parent

Alkoxysilanes

Alternative Parents

Substituents

Alkoxysilane
Silyl ether
Organoheterosilane
Organic metalloid salt
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organic salt
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

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

Property	Value	Source
Water Solubility	2.35 g/L	ALOGPS
logP	1.82	ALOGPS
logP	0.31	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	44.48 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	48.21 m³·mol⁻¹	ChemAxon
Polarizability	21.86 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-002f-0900000000-487d4c7deb757ab45800	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004j-9800000000-fb8a6c222d9a1533caf5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-002b-3900000000-d85aeb8862ed55333054	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00lu-0900000000-6a512cbd0fb28c359a50	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052o-7900000000-e98d2c7f7b258ce51a55	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052b-9400000000-f3e025018ceaa4809a35	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1413.0	Log mg/kg	[790:2500]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
115	Drinking water	Drinking water & water supply	Not Available
495	Ceilings	Building & Construction	Not Available
496	Fencing	Building & Construction	Not Available
497	Floors	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
534	Still Video Cameras	Electrical & Electronic Equipment	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
596	Acaricides	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
644	Hook Or Eye Fasteners	Textiles, leather & furnishings	Not Available
645	Inorganic Fibres	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Spermine synthase	Q3SZA5	Bos taurus	Predicted (SEA)	0.155698
Click to view 3D structure	Mitochondrial 2-oxodicarboxylate carrier	Q8BZ09	Mus musculus	Predicted (SEA)	0.155698
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	1598.24
Click to view 3D structure	Deoxyhypusine synthase	Q9GSW0	Plasmodium falciparum	Predicted (SEA)	18.2946
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	2502.54
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	1912.91
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	1439.74
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	10.7432
Click to view 3D structure	Putative agmatine deiminase	Q8DW17	Streptococcus mutans serotype c (strain ATCC 700610 / UA159)	Predicted (SEA)	5.76084
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	1793.02
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	2092.04
Click to view 3D structure	Sphingosine-1-phosphate transporter SPNS2	Q91VM4	Mus musculus	Predicted (SEA)	46.5538
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	3694.1
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	1811.78
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	7234.61
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	5350.97
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	1918.83
Click to view 3D structure	Ribosomal protein S6 kinase alpha-1	Q15418	Humans	Predicted (SEA)	6157.64
Click to view 3D structure	Sphingosine-1-phosphate transporter SPNS2	Q8IVW8	Humans	Predicted (SEA)	151.261
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	7379.64
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	7475.0
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	3671.99
Click to view 3D structure	Ornithine decarboxylase	P09057	Rattus norvegicus	Predicted (SEA)	0.233548
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-6	P30191	Rattus norvegicus	Predicted (SEA)	3.26967
Click to view 3D structure	Tryptase	P27435	Rattus norvegicus	Predicted (SEA)	1056.26