N-(2-Aminoethyl)-5-isoquinolinesulfonamide hydrochloride - ≥97% , CAS No.116970-50-4

CAS: 116970-50-4 Cat. No.: A274897 Molecular Weight: 287.77 EC Number: 601-462-1

GRADE & PURITY ≥97%

Synonyms

n-(2-aminoethyl)isochinoline-5-sulfonamide hydrochloride | DS-3257 | PD121305 | W17304 | N-(2-Aminoethyl)-5-isoquinolinesulfonamide hydrochloride | 5-Isoquinolinesulfonamide, N-(2-aminoethyl)-, monohydrochloride | DTXSID70151614 | H-9 hydrochloride | n-(2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

n-(2-aminoethyl)isochinoline-5-sulfonamide hydrochloride | DS-3257 | PD121305 | W17304 | N-(2-Aminoethyl)-5-isoquinolinesulfonamide hydrochloride | 5-Isoquinolinesulfonamide, N-(2-aminoethyl)-, monohydrochloride | DTXSID70151614 | H-9 hydrochloride | n-(2

Specifications & Purity

≥97%

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.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN.Cl
• IUPAC Name: N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride
• InChIKey: ZAMCOVXWUOADQX-UHFFFAOYSA-N
• INCHI: 1S/C11H13N3O2S.ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;/h1-4,6,8,14H,5,7,12H2;1H
• Isomeric SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN.Cl
• Molecular Weight: 287.77
• Reaxy-Rn: 6548866
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6548866&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Pyridines and derivatives Organosulfonamides Benzenoids Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Pyridine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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: Water
• Molecular Weight: 287.770 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 287.05 Da
• Monoisotopic Mass: 287.05 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 339.000
• 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