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162254299 molecular structure
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(6-aminohexyl)tris(2H3)methylazanium bromide hydrobromide

ChemBase ID: 160164
Molecular Formular: C9H24Br2N2
Molecular Mass: 320.10826
Monoisotopic Mass: 318.03062278
SMILES and InChIs

SMILES:
[N+](CCCCCCN)(C)(C)C.[Br-].Br
Canonical SMILES:
NCCCCCC[N+](C)(C)C.Br.[Br-]
InChI:
InChI=1S/C9H23N2.2BrH/c1-11(2,3)9-7-5-4-6-8-10;;/h4-10H2,1-3H3;2*1H/q+1;;/p-1
InChIKey:
NIELYIRFOUAOEZ-UHFFFAOYSA-M

Cite this record

CBID:160164 http://www.chembase.cn/molecule-160164.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-aminohexyl)tris(2H3)methylazanium bromide hydrobromide
IUPAC Traditional name
(6-aminohexyl)tris(2H3)methylazanium bromide hydrobromide
Synonyms
6-Amino-N,N,N-trimethyl-1-hexanaminium-d9 Bromide Hydrobromide
(6-Aminohexyl)trimethylammonium-d9 Bromide Hydrobromide
PubChem SID
162254299
PubChem CID
71313262

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC A611082 external link Add to cart
PubChem 71313262 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 71313262 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.326679  LogD (pH = 7.4) -5.9069023 
Log P -3.3026912  Molar Refractivity 62.5635 cm3
Polarizability 20.324352 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A611082 external link
Labelled (6-Aminohexyl)trimethylammonium Bromide, a potent inhibitor and acts as substrate for pig kidney diamine oxidase.

REFERENCES

REFERENCES

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  • • Bardsley, W.G., et al.: Biochem. J., 122, 557 (1971)
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PATENTS

PATENTS

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INTERNET

INTERNET

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