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Sulfur Compounds
8-(2-Aminoethylamino)-1-naphthalenesulfonic acid

8-(2-Aminoethylamino)-1-naphthalenesulfonic acid - CAS 50402-57-8

Catalog:	BB027040
Product Name:	8-(2-Aminoethylamino)-1-naphthalenesulfonic acid
CAS:	50402-57-8
Synonyms:	8-(2-aminoethylamino)naphthalene-1-sulfonic acid

Technical Data

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Computed Properties

IUPAC Name:	8-(2-aminoethylamino)naphthalene-1-sulfonic acid
Description:	A fluorescent reagent with a terminal amine for derivatization.
Molecular Weight:	266.32
Molecular Formula:	C12H14N2O3S
Canonical SMILES:	C1=CC2=C(C(=C1)NCCN)C(=CC=C2)S(=O)(=O)O
InChI:	InChI=1S/C12H14N2O3S/c13-7-8-14-10-5-1-3-9-4-2-6-11(12(9)10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17)
InChI Key:	XCNDHKWVELDQPO-UHFFFAOYSA-N
Density:	1.432 g/cm³
Appearance:	Off-white powder
MDL:	MFCD00055909
LogP:	3.31120

Publication Number	Title	Priority Date
WO-2020236620-A1	Methods for predicting responsiveness of cancer to ferroptosis-inducing therapies	20190517
WO-2020081852-A1	Selective ship inhibitors for treating disease	20181017
US-2020277256-A1	Selective ship inhibitors for treating disease	20181017
CN-111051469-A	Acid stabilization of quantum dot-resin concentrates and premixes	20170605
KR-20200016926-A	Acid Stabilization of Quantum Dot-Resin Concentrates and Premixes	20170605

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	366
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.07251349
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	266.07251349
Rotatable Bond Count:	4
Topological Polar Surface Area:	101 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3