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1159174-36-3 molecular structure
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(7-bromoheptyl)trimethylazanium bromide

ChemBase ID: 162924
Molecular Formular: C10H23Br2N
Molecular Mass: 317.10432
Monoisotopic Mass: 315.01972374
SMILES and InChIs

SMILES:
[N+](CCCCCCCBr)(C)(C)C.[Br-]
Canonical SMILES:
BrCCCCCCC[N+](C)(C)C.[Br-]
InChI:
InChI=1S/C10H23BrN.BrH/c1-12(2,3)10-8-6-4-5-7-9-11;/h4-10H2,1-3H3;1H/q+1;/p-1
InChIKey:
DKZPHMNXOPCINV-UHFFFAOYSA-M

Cite this record

CBID:162924 http://www.chembase.cn/molecule-162924.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(7-bromoheptyl)trimethylazanium bromide
IUPAC Traditional name
(7-bromoheptyl)trimethylazanium bromide
Synonyms
7-Bromo-N,N,N-trimethyl-1-heptanaminium Bromide
1-Bromo-7-(trimethylammonium)heptyl Bromide
CAS Number
1159174-36-3
PubChem SID
162257059
PubChem CID
46783693

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B688515 external link Add to cart
PubChem 46783693 external link
Data Source Data ID Price
TRC
B688515 external link Add to cart Please log in.
Data Source Data ID
PubChem 46783693 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2111536  LogD (pH = 7.4) -1.2111536 
Log P -1.2111536  Molar Refractivity 71.5415 cm3
Polarizability 23.224495 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
Brownish Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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