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636-70-4 molecular structure
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triethylamine hydrobromide

ChemBase ID: 287534
Molecular Formular: C6H16BrN
Molecular Mass: 182.10194
Monoisotopic Mass: 181.04661152
SMILES and InChIs

SMILES:
CCN(CC)CC.Br
Canonical SMILES:
CCN(CC)CC.Br
InChI:
InChI=1S/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
InChIKey:
NRTLTGGGUQIRRT-UHFFFAOYSA-N

Cite this record

CBID:287534 http://www.chembase.cn/molecule-287534.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triethylamine hydrobromide
IUPAC Traditional name
triethylamine hydrobromide
Synonyms
Triethylamine hydrobromide
Triethylamine hydrobromide
三乙胺氢溴酸盐
CAS Number
636-70-4
EC Number
211-263-8
MDL Number
MFCD00054287
PubChem SID
180673065
PubChem CID
2734074

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2734074 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2147028  LogD (pH = 7.4) -1.4690653 
Log P 1.2605933  Molar Refractivity 34.2339 cm3
Polarizability 13.342089 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 250°C dec. expand Show data source
Storage Warning
Hygroscopic expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P280H-P305+P351+P338 expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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