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15715-58-9 molecular structure
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carbonic acid; triethylamine

ChemBase ID: 155837
Molecular Formular: C7H17NO3
Molecular Mass: 163.21478
Monoisotopic Mass: 163.12084341
SMILES and InChIs

SMILES:
CCN(CC)CC.C(=O)(O)O
Canonical SMILES:
OC(=O)O.CCN(CC)CC
InChI:
InChI=1S/C6H15N.CH2O3/c1-4-7(5-2)6-3;2-1(3)4/h4-6H2,1-3H3;(H2,2,3,4)
InChIKey:
AFQIYTIJXGTIEY-UHFFFAOYSA-N

Cite this record

CBID:155837 http://www.chembase.cn/molecule-155837.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
carbonic acid; triethylamine
IUPAC Traditional name
soda; triethylamine
Synonyms
Buffer solution 1 M pH 8.5 (volatile)
Triethylammonium hydrogen carbonate buffer
Triethylammonium bicarbonate buffer
Buffer solution 1 M pH 8.4-8.6 (volatile)
1M 的缓冲溶液,pH 8.5(挥发性)
三乙胺碳酸氢盐缓冲液
三乙基碳酸氢铵缓冲液
缓冲液 1M pH 8.4-8.6(挥发性)
CAS Number
15715-58-9
MDL Number
MFCD00466938
Beilstein Number
3624751
PubChem SID
24889355
162249975
24850790
PubChem CID
3082099

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3082099 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)
Density
1.018 g/mL at 20 °C expand Show data source
1.02 g/mL at 20 °C expand Show data source
Refractive Index
n20/D 1.355 expand Show data source
Absorption Wavelength
λ: 260 nm Amax: ≤0.04 expand Show data source
λ: 260 nm Amax: ≤0.05 expand Show data source
λ: 280 nm Amax: ≤0.04 expand Show data source
λ: 280 nm Amax: ≤0.05 expand Show data source
pH
8.4-8.6 (25 °C) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
~1.0 M in H2O expand Show data source
1 M expand Show data source
Grade
for HPLC expand Show data source
Evaporation Residue
≤0.05% expand Show data source
λ
neat expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 90360 external link
Application
Buffer for use in ion-exchange chromatography and electrophoresis.
Other Notes
For use in ion-exchange chromatography and electrophoresis1
Sigma Aldrich - 17902 external link
Application
Buffer for use in ion-exchange chromatography and electrophoresis.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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