Sodium 3-(1-Naphthylamino)propanesulfonate - ≥98% , CAS No.104484-71-1

CAS: 104484-71-1 Cat. No.: S123044 Molecular Weight: 287.31 PubChem CID: 23672139

GRADE & PURITY ≥98%

Synonyms

SB82096 | AKOS015909451 | 1-Propanesulfonic acid, 3-(1-naphthalenylamino)-, monosodium salt | HY-D0897 | AM85461 | 1-Propanesulfonicacid,3-(1-naphthalenylamino)-,sodiumsalt(1:1) | Sodium 3-(naphthalen-1-ylamino)propane-1-sulfonate | SCHEMBL10907208 | TD81

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SB82096 | AKOS015909451 | 1-Propanesulfonic acid, 3-(1-naphthalenylamino)-, monosodium salt | HY-D0897 | AM85461 | 1-Propanesulfonicacid, 3-(1-naphthalenylamino)-, sodiumsalt(1:1) | Sodium 3-(naphthalen-1-ylamino)propane-1-sulfonate | SCHEMBL10907208 | TD81

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769576
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769576
• Canonical Smiles: C1=CC=C2C(=C1)C=CC=C2NCCCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;3-(naphthalen-1-ylamino)propane-1-sulfonate
• InChIKey: HSOPFPPLFWZKJN-UHFFFAOYSA-M
• INCHI: 1S/C13H15NO3S.Na/c15-18(16,17)10-4-9-14-13-8-3-6-11-5-1-2-7-12(11)13;/h1-3,5-8,14H,4,9-10H2,(H,15,16,17);/q;+1/p-1
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC=C2NCCCS(=O)(=O)[O-].[Na+]
• PubChem CID: 23672139
• Molecular Weight: 287.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Secondary alkylarylamines Sulfonyls Organosulfonic acids Alkanesulfonic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Secondary aliphatic/aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Secondary amine - Organic alkali metal salt - Organic zwitterion - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Air&heat sensitive
• Molecular Weight: 287.310 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 287.059 Da
• Monoisotopic Mass: 287.059 Da
• Topological Polar Surface Area: 77.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 355.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Longhao Zhang, Hao Yan, JiaJia Zhou, Ziguang Zhao, Jin Huang, Lie Chen, Yunfei Ru, Mingjie Liu.  (2022)  High-Performance Organohydrogel Artificial Muscle with Compartmentalized Anisotropic Actuation Under Microdomain Confinement.  ADVANCED MATERIALS,  35  (9): (2202193).  [PMID:36543760] [10.1002/adma.202202193]