| CAS Number | 5332-41-2 |
| Catalog Number | AG003IU9(AGN-PC-0SEY71) |
| Chemical Name | 3-Amino-2,7-naphthalenedisulfonic acid monosodium salt |
| EC Number | 226-240-8 |
| IUPAC Name | sodium;3-amino-7-sulfonaphthalene-2-sulfonate |
| InChI | InChI=1S/C10H9NO6S2.Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-1 |
| InChI Key | SBRWTQONIUBBNF-UHFFFAOYSA-M |
| MDL Number | MFCD00004114 |
| Molecular Formula | C10H8NNaO6S2 |
| Molecular Weight | 325.2934 |
| SMILES | O=S(C1=C(N)C=C2C=CC(S(=O)(O)=O)=CC2=C1)([O-])=O.[Na+] |
| Synonyms | 3-Amino-2,7-naphthalenedisulfonic Acid Monosodium Salt,
5332-41-2,
Sodium 3-amino-7-sulfonaphthalene-2-sulfonate,
SCHEMBL7651104,
SBRWTQONIUBBNF-UHFFFAOYSA-M,
MFCD00004114,
Sodium 3-amino-7-sulfo-2-naphthalenesulfonate, AldrichCPR,
C10-H9-N-O6-S2.Na,
EINECS 226-240-8,
Sodium hydrogen 3-aminonaphthalene-2,7-disulphonate,
2,7-Naphthalenedisulfonic acid, 3-amino-, monosodium salt,
3-AMINO-2,7-NAPHTHALENEDISULFONICACIDMONOSODIUMSALT,
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| Complexity | 537 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.285g/mol |
| Monoisotopic Mass | 324.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 154A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number