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15467-20-6 molecular structure
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disodium 2-[(carboxylatomethyl)(carboxymethyl)amino]acetate

ChemBase ID: 102983
Molecular Formular: C6H7NNa2O6
Molecular Mass: 235.10242
Monoisotopic Mass: 235.00687551
SMILES and InChIs

SMILES:
[Na+].[Na+].OC(=O)CN(CC(=O)[O-])CC(=O)[O-]
Canonical SMILES:
[O-]C(=O)CN(CC(=O)O)CC(=O)[O-].[Na+].[Na+]
InChI:
InChI=1S/C6H9NO6.2Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-2
InChIKey:
RHPXYIKALIRNFA-UHFFFAOYSA-L

Cite this record

CBID:102983 http://www.chembase.cn/molecule-102983.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium 2-[(carboxylatomethyl)(carboxymethyl)amino]acetate
IUPAC Traditional name
dipotassium C6H7NO6
disodium 2-[(carboxylatomethyl)(carboxymethyl)amino]acetate
Synonyms
N,N-bis(Carboxymethyl)glycine
NTA
Triglycollamic acid
NITRILOTRIACETIC ACID DISODIUM SALT
Nitrilotriacetic acid disodium salt
N,N-双(羧甲基)甘氨酸
氨三乙酸
次氮基三乙酸 二钠盐
CAS Number
15467-20-6
EC Number
239-484-5
MDL Number
MFCD00064230
PubChem SID
24897410
162090293
PubChem CID
27301

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 27301 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7801441  H Acceptors
H Donor LogD (pH = 5.5) -7.1725616 
LogD (pH = 7.4) -11.23058  Log P -2.0884216 
Molar Refractivity 59.9161 cm3 Polarizability 15.010503 Å3
Polar Surface Area 120.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300°C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
AJ0350000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
22-40 expand Show data source
R:22 expand Show data source
Safety Statements
36 expand Show data source
S:36/37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H351 expand Show data source
GHS Precautionary statements
P281 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99% expand Show data source
99% expand Show data source
Grade
Sigma Grade expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150140 external link
Disodium Salt
Purity: 99%
Crystalline
Chelating agent
Sigma Aldrich - N0128 external link
Application
一种优质的螯合剂。
包装
50, 100 g in poly bottle
Warning
可能致癌。

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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