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70714-69-1 | 1,3,6-Naphthalenetrisulfonicacid, 7-amino-, ammonium salt (1:2)
CAS No: 70714-69-1 Catalog No: AG005GR5 MDL No:
Product Description
Catalog Number:
AG005GR5
Chemical Name:
1,3,6-Naphthalenetrisulfonicacid, 7-amino-, ammonium salt (1:2)
CAS Number:
70714-69-1
Molecular Formula:
C10H15N3O9S3
Molecular Weight:
417.4358
IUPAC Name:
7-aminonaphthalene-1,3,6-trisulfonic acid;azane
InChI:
InChI=1S/C10H9NO9S3.2H3N/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);2*1H3
InChI Key:
GTFTYISZEPQXHQ-UHFFFAOYSA-N
SMILES:
Nc1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)O)S(=O)(=O)[O-].[NH4+].[NH4+]
EC Number:
274-800-5
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.997g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
417.422g/mol
Monoisotopic Mass:
416.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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