Cas no 61986-93-4 (1,3,6-Naphthalenetrisulfonic acid, 4-amino-)
61986-93-4 structure
Product Name:1,3,6-Naphthalenetrisulfonic acid, 4-amino-
CAS No:61986-93-4
MF:C10H9NO9S3
MW:383.374759435654
CID:461420
PubChem ID:12944563
Update Time:2025-04-19
1,3,6-Naphthalenetrisulfonic acid, 4-amino- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,6-Naphthalenetrisulfonic acid, 4-amino-
- 4-aminonaphthalene-1,3,6-trisulfonic acid
- SCHEMBL1755145
- SWHYBBGFRAEKOS-UHFFFAOYSA-N
- 1-aminonaphthalene-2,4,7-trisulphonic acid
- DTXSID30513577
- 61986-93-4
-
- Inchi： 1S/C10H9NO9S3/c11-10-7-3-5(21(12,13)14)1-2-6(7)8(22(15,16)17)4-9(10)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
- InChI Key： SWHYBBGFRAEKOS-UHFFFAOYSA-N
- SMILES： S(C1C=C(C(=C2C=C(C=CC2=1)S(=O)(=O)O)N)S(=O)(=O)O)(=O)(=O)O
Computed Properties
- Exact Mass: 382.94397
- Monoisotopic Mass: 382.94394439g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 756
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 214?2
Experimental Properties
- PSA: 189.13
1,3,6-Naphthalenetrisulfonic acid, 4-amino- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
61986-93-4 (1,3,6-Naphthalenetrisulfonic acid, 4-amino-) Related Products
- 84-86-6(4-Amino-1-naphthalenesulfonic Acid)
- 88-21-1(Aniline-2-sulfonic acid)
- 84-89-9(5-Amino-1-naphthalenesulfonic Acid, 90%)
- 86-65-7(7-Amino-1,3-naphthalenedisulfonic Acid)
- 17894-99-4(8-Aminonaphthalene-1,3,5-trisulfonic acid)
- 137-51-9(4-Amino-1,3-benzenedisulfonic Acid (>90%))
- 81-16-3(Tobias acid)
- 117-62-4(2-Amino-1,5-naphthalenedisulfonic acid)
- 118-03-6(7-Aminonaphthalene-1,3,6-trisulfonic acid)
- 118-33-2(2-Naphthylamine-5,7-disulfonic Acid)
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