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100900-07-0 molecular structure
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sodium 5-[(2-aminoethyl)amino]naphthalene-1-sulfonate

ChemBase ID: 74364
Molecular Formular: C12H13N2NaO3S
Molecular Mass: 288.29799
Monoisotopic Mass: 288.05445757
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cccc2c1cccc2NCCN)[O-].[Na+]
Canonical SMILES:
NCCNc1cccc2c1cccc2S(=O)(=O)[O-].[Na+]
InChI:
InChI=1S/C12H14N2O3S.Na/c13-7-8-14-11-5-1-4-10-9(11)3-2-6-12(10)18(15,16)17;/h1-6,14H,7-8,13H2,(H,15,16,17);/q;+1/p-1
InChIKey:
HGWRACRQRUQQGH-UHFFFAOYSA-M

Cite this record

CBID:74364 http://www.chembase.cn/molecule-74364.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 5-[(2-aminoethyl)amino]naphthalene-1-sulfonate
IUPAC Traditional name
sodium 5-[(2-aminoethyl)amino]naphthalene-1-sulfonate
Synonyms
EDANS sodium salt
5-[(2-Aminoethyl)amino]-1-naphthalenesulfonic Acid Monosodium Salt
N-(Aminoethyl)-5-naphthylamine-1-sulfonic Acid Sodium Salt
1,5-EDANS, SODIUM SALT
Sodium 5-[(2-aminoethyl)amino]naphthalene-1-sulphonate
1,5-EDANS
N-(Aminoethyl)-5-naphthylamine-1-sulfonic acid
5-(2-Aminoethylamino)-1-naphthalenesulfonic acid sodium salt
5-(2-氨乙基氨)-1-萘磺酸钠盐
CAS Number
100900-07-0
MDL Number
MFCD00051474
Beilstein Number
4283850
PubChem SID
24890874
162039283
PubChem CID
4116252

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.592021  H Acceptors
H Donor LogD (pH = 5.5) -0.19035502 
LogD (pH = 7.4) -0.19260974  Log P -0.19026396 
Molar Refractivity 70.1526 cm3 Polarizability 28.658417 Å3
Polar Surface Area 95.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Warm Water expand Show data source
Apperance
Light Yellow Powder expand Show data source
Melting Point
>300°C expand Show data source
320-322°C expand Show data source
320-322°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Irritant 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
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
suitable for fluorescence expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A609250 external link
A fluorescent reagent with a terminal amine for derivatizaton. 1,5-EDANS has similar spectral properties to the naphthalenesulfonic acids.

REFERENCES

REFERENCES

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  • • Hudson, E.N., et l.: Biochem., 12, 4154 (1973)
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PATENTS

PATENTS

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INTERNET

INTERNET

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