1-(3-Bromopropyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentane
PubChem CID
4292411
Structure
Molecular Formula
Synonyms
- 95091-93-3
- 1-(3-Bromopropyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentane
- 1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
- SCHEMBL347713
- DTXSID50401629
Molecular Weight
280.35 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-09-14
- Modify:2025-01-18
Chemical Structure Depiction
1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C9H22BrNSi2/c1-12(2)8-9-13(3,4)11(12)7-5-6-10/h5-9H2,1-4H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
BKBUBAVZGMRPAK-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C[Si]1(CC[Si](N1CCCBr)(C)C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H22BrNSi2
Computed by PubChem 2.2 (PubChem release 2024.11.20)
95091-93-3
- 95091-93-3
- 1-(3-Bromopropyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentane
- 1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
- SCHEMBL347713
- DTXSID50401629
- BKBUBAVZGMRPAK-UHFFFAOYSA-N
- MFCD00274342
- 1-Aza-2,5-disilacyclopentane, 1-(3-bromopropyl)-2,2,5,5-tetramethyl-
- AKOS015913126
- 1-(3-bromopropyl)-2,2,5,5-tetramethyl-aza-2,5-disilacyclopentane
- 1-(3-Bromopropyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentane, 97%
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
280.35 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
279.04742 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
279.04742 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
3.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
166
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
1-(3-Bromoprop-1-yl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (annotation moved to)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=BKBUBAVZGMRPAK-UHFFFAOYSA-N
- EPA DSSTox1-(3-Bromopropyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentanehttps://comptox.epa.gov/dashboard/DTXSID50401629CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBase1-(3-Bromopropyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentanehttps://spectrabase.com/spectrum/DkzdCu2xIID1-(3-Bromopropyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentanehttps://spectrabase.com/spectrum/LJGbwnnYZzz1-(3-Bromopropyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentanehttps://spectrabase.com/spectrum/84LHZoTlA3i
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata1-(3-Bromopropyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentanehttps://www.wikidata.org/wiki/Q82204831
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389540381https://pubchem.ncbi.nlm.nih.gov/substance/389540381
CONTENTS