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67874-43-5 molecular structure
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sodium 3-[(2-{bis[3-oxo-3-(sodiooxy)propyl]amino}ethyl)[3-oxo-3-(sodiooxy)propyl]amino]propanoate

ChemBase ID: 136814
Molecular Formular: C14H20N2Na4O8
Molecular Mass: 436.27628
Monoisotopic Mass: 436.08104273
SMILES and InChIs

SMILES:
C(CN(CCC(=O)O[Na])CCN(CCC(=O)O[Na])CCC(=O)O[Na])C(=O)O[Na]
Canonical SMILES:
[Na]OC(=O)CCN(CCC(=O)O[Na])CCN(CCC(=O)O[Na])CCC(=O)O[Na]
InChI:
InChI=1S/C14H24N2O8.4Na/c17-11(18)1-5-15(6-2-12(19)20)9-10-16(7-3-13(21)22)8-4-14(23)24;;;;/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4
InChIKey:
CJVPOGPEEJPBFT-UHFFFAOYSA-J

Cite this record

CBID:136814 http://www.chembase.cn/molecule-136814.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 3-[(2-{bis[3-oxo-3-(sodiooxy)propyl]amino}ethyl)[3-oxo-3-(sodiooxy)propyl]amino]propanoate
IUPAC Traditional name
sodium 3-[(2-{bis[3-oxo-3-(sodiooxy)propyl]amino}ethyl)[3-oxo-3-(sodiooxy)propyl]amino]propanoate
Synonyms
Ethylenediaminetetrapropionic acid tetrasodium salt
PAMAM Dendrimer, ethylenediamine core, Generation -0.5 solution
乙二胺四丙酸 四钠盐
PAMAM 树枝状聚合物,乙二胺核,0.5 代 溶液
CAS Number
67874-43-5
MDL Number
MFCD00192445
PubChem SID
162231082
PubChem CID
3255933

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
412341 external link Add to cart Please log in.
Data Source Data ID
PubChem 3255933 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.385816  LogD (pH = 7.4) -1.52498 
Log P 0.2732  Molar Refractivity 77.4328 cm3
Polarizability 39.509697 Å3 Polar Surface Area 111.68 Å2
Rotatable Bonds 19  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
100 °C expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Refractive Index
n20/D 1.37 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 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
Concentration
20 wt. % in H2O expand Show data source
Empirical Formula (Hill Notation)
C14H20N2Na4O8 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 412341 external link
Other Notes
NOT to be used for testing in vivo in either humans or animals
Legal Information
Manufactured by Dendritech®, Inc.
Dendritech is a registered trademark of Dendritech, Inc.
Physical form
Contains 4 surface carboxylate groups

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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