XB6Y432Tdr
PubChem CID
24199774
Structure
Molecular Formula
Synonyms
- NSC-342006
- 13116-76-2
- NSC342006
- XB6Y432TDR
- DTXSID10927097
Molecular Weight
406.1 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Component Compounds
Dates
- Create:2008-02-29
- Modify:2024-12-28
Chemical Structure Depiction
Conformer generation is disallowed since too flexible, mixture or salt
N-[2-[(4-methoxyphenyl)methyldisulfanyl]ethyl]decan-1-amine;hydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C20H35NOS2.ClH/c1-3-4-5-6-7-8-9-10-15-21-16-17-23-24-18-19-11-13-20(22-2)14-12-19;/h11-14,21H,3-10,15-18H2,1-2H3;1H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
QBGYAEBKGYXZLZ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCCCCCCNCCSSCC1=CC=C(C=C1)OC.Cl
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C20H36ClNOS2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
13116-76-2
- NSC-342006
- 13116-76-2
- NSC342006
- XB6Y432TDR
- DTXSID10927097
- p-Methoxybenzyl n-decylaminoethyl disulfide hydrochloride
- Decylamine, N-[2-[(p-methoxybenzyl)dithio]ethyl]-, hydrochloride
- 1-Decanamine, N-[2-[[(4-methoxyphenyl)methyl]dithio]ethyl]-, hydrochloride
- N-[2-[(4-methoxyphenyl)methyldisulfanyl]ethyl]decan-1-amine hydrochloride
- 1-Decanamine, N-[2-[[(4-methoxyphenyl)methyl]dithio]ethyl]-, hydrochloride (1:1)
- N-(2-{[(4-Methoxyphenyl)methyl]disulfanyl}ethyl)decan-1-amine--hydrogen chloride (1/1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
406.1 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
16
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
405.1926848 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
405.1926848 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
71.9Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
25
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
258
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxN-(2-{[(4-Methoxyphenyl)methyl]disulfanyl}ethyl)decan-1-amine--hydrogen chloride (1/1)https://comptox.epa.gov/dashboard/DTXSID10927097
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingN-[2-[(4-methoxyphenyl)methyldisulfanyl]ethyl]decan-1-amine hydrochloridehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/XB6Y432TDR
- WikidataN-(2-{[(4-Methoxyphenyl)methyl]disulfanyl}ethyl)decan-1-amine--hydrogen chloride (1/1)https://www.wikidata.org/wiki/Q82901717
- PubChem
CONTENTS