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231-791-2 molecular structure
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2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid; 2-amino-2-(hydroxymethyl)propane-1,3-diol

ChemBase ID: 155574
Molecular Formular: C14H27N3O11
Molecular Mass: 413.37768
Monoisotopic Mass: 413.1645587
SMILES and InChIs

SMILES:
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.C(C(CO)(CO)N)O
Canonical SMILES:
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.OCC(CO)(CO)N
InChI:
InChI=1S/C10H16N2O8.C4H11NO3/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;5-4(1-6,2-7)3-8/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);6-8H,1-3,5H2
InChIKey:
VLEIUWBSEKKKFX-UHFFFAOYSA-N

Cite this record

CBID:155574 http://www.chembase.cn/molecule-155574.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid; 2-amino-2-(hydroxymethyl)propane-1,3-diol
IUPAC Traditional name
edta; tris buffer
Synonyms
TRIS--EDTA solution
TE buffer solution
Tris-EDTA buffer solution
TE 缓冲液 溶液
EC Number
231-791-2
MDL Number
MFCD00236359
PubChem SID
24888617
162249712
PubChem CID
16218629

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16218629 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.486185  H Acceptors 10 
H Donor LogD (pH = 5.5) -10.586659 
LogD (pH = 7.4) -14.721412  Log P -5.221795 
Molar Refractivity 62.3456 cm3 Polarizability 24.69443 Å3
Polar Surface Area 155.68 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
1.050-1.070 g/mL at 20 °C expand Show data source
Refractive Index
n20/D 1.352-1.354 expand Show data source
n20/D 1.360 expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.03 expand Show data source
λ: 260 nm Amax: 0.04 expand Show data source
λ: 280 nm Amax: 0.01 expand Show data source
λ: 280 nm Amax: 0.05 expand Show data source
pH
7.4±0.2 (25 °C) expand Show data source
8.0±0.1 (25 °C) expand Show data source
8.8-9.2 (25 °C) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
nwg expand Show data source
Risk Statements
41 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Concentration
0.23-0.27 M expand Show data source
100 × expand Show data source
Grade
for molecular biology expand Show data source
Impurities
DNases, none detected expand Show data source
insoluble matter, passes filter test expand Show data source
phosphatases, none detected expand Show data source
proteases, none detected expand Show data source
RNases, none detected expand Show data source
Cation Traces
Al: ≤1 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤1 mg/kg expand Show data source
Bi: ≤1 mg/kg expand Show data source
Ca: ≤5 mg/kg expand Show data source
Cd: ≤1 mg/kg expand Show data source
Co: ≤1 mg/kg expand Show data source
Cr: ≤1 mg/kg expand Show data source
Cu: ≤1 mg/kg expand Show data source
Fe: ≤1 mg/kg expand Show data source
K: ≤20 mg/kg expand Show data source
Li: ≤1 mg/kg expand Show data source
Mg: ≤1 mg/kg expand Show data source
Mn: ≤1 mg/kg expand Show data source
Mo: ≤1 mg/kg expand Show data source
Ni: ≤1 mg/kg expand Show data source
Pb: ≤1 mg/kg expand Show data source
Sr: ≤1 mg/kg expand Show data source
Zn: ≤1 mg/kg expand Show data source
Foreign Activity
DNase, RNase, none detected expand Show data source
Sterility
0.2 μm filtered expand Show data source
Quality
100× concentrate expand Show data source
λ
neat expand Show data source
Product Line
BioUltra expand Show data source
abs.
absorption/260 nm cut-off expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T9285 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Other Notes
1.0 M Tris-HCl, pH approx. 8.0, containing 0.1 M EDTA
Sigma Aldrich - 86377 external link
Physical form
1.0 M TRIS HCl, pH 8.0±0.1 (25°C); 0.1 M EDTA.Na2
Sigma Aldrich - 98306 external link
Physical form
0.25 M EDTA sodium salt; 0.25 M TRIS hydrochloride in water
Sigma Aldrich - 93302 external link
Physical form
10 mM Tris-HCl; 1 mM EDTA
Sigma Aldrich - 93283 external link
Other Notes
This buffer is 10 mM Tris-HCl, 1 mM disodium EDTA, pH 8.0.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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