1-Naphthylamine-4,6,8-trisulfonic acid - CAS 17894-99-4
Catalog:
BB044083
Product Name:
1-Naphthylamine-4,6,8-trisulfonic acid
CAS:
17894-99-4
Synonyms:
8-amino-1,3,5-naphthalenetrisulfonic acid; 8-amino-naphthalene-1,3,5-trisulfonic acid
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BB044083
1 g
$1999
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IUPAC Name: 8-aminonaphthalene-1,3,5-trisulfonic acid
Description: 1-Naphthylamine-4,6,8-trisulfonic acid (CAS# 17894-99-4 ) is a useful research chemical.
Molecular Weight: 383.38
Molecular Formula: C10H9NO9S3
Canonical SMILES: C1=CC(=C2C=C(C=C(C2=C1N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
InChI: InChI=1S/C10H9NO9S3/c11-7-1-2-8(22(15,16)17)6-3-5(21(12,13)14)4-9(10(6)7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
InChI Key: RQVVDWMOCSOAJS-UHFFFAOYSA-N
Density: 1.974 g/cm3
Complexity: 756
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 382.94394439
Formal Charge: 0
Heavy Atom Count: 23
Hydrogen Bond Acceptor Count: 10
Hydrogen Bond Donor Count: 4
Isotope Atom Count: 0
Monoisotopic Mass: 382.94394439
Rotatable Bond Count: 3
Topological Polar Surface Area: 214
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: -1.3
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