Cas no 78957-85-4 (A-3 hydrochloride)

A-3 hydrochloride structure
A-3 hydrochloride structure
Product Name:A-3 hydrochloride
CAS No:78957-85-4
MF:C12H14Cl2N2O2S
MW:321.222759723663
CID:553746
PubChem ID:24890609
Update Time:2024-12-09

A-3 hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenesulfonamide,N-(2-aminoethyl)-5-chloro-, hydrochloride (1:1)
    • N-(2-Aminoethyl)-5-chloro-1-naphthalenesulfonamide, Hydrochloride
    • A-3 HYDROCHLORIDE
    • N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide hydrochloride
    • A3 hydrochloride
    • CS-0103566
    • Tox21_501027
    • CCG-222331
    • NCGC00261712-01
    • MFCD00077311
    • A3 hydrochloride, >=98% (HPLC), solid
    • MS-24744
    • SR-01000597803-1
    • N-(2-Aminoethyl)-5-chloronaphthalene-1-sulphonamide hydrochloride
    • FT-0645250
    • A-3 (hydrochloride)
    • HY-125957
    • NCGC00094317-01
    • DTXSID301017465
    • SCHEMBL3503907
    • AKOS040741014
    • LP01027
    • 78957-85-4
    • A3 HCl
    • SR-01000597803
    • CHEMBL1255867
    • 1-Naphthalenesulfonamide, N-(2-aminoethyl)-5-chloro-, monohydrochloride (9CI)
    • A 3
    • A 3 hydrochloride
    • G12260
    • DA-60655
    • A-3 hydrochloride
    • MDL: MFCD00077311
    • Inchi: 1S/C12H13ClN2O2S.ClH/c13-11-5-1-4-10-9(11)3-2-6-12(10)18(16,17)15-8-7-14;/h1-6,15H,7-8,14H2;1H
    • InChI Key: VWAGIWCLJAQLAL-UHFFFAOYSA-N
    • SMILES: Cl.O=S(C1C2C(=C(C=CC=2)Cl)C=CC=1)(NCCN)=O

Computed Properties

  • Exact Mass: 320.01500
  • Monoisotopic Mass: 320.0153043g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 369
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.6?2

Experimental Properties

  • Melting Point: 173-176°C
  • Solubility: DMSO: 24?mg/mL
  • PSA: 80.57000
  • LogP: 4.70420

A-3 hydrochloride Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Safety Term:26-36
  • Risk Phrases:R36/37/38
  • Storage Condition:?20°C

A-3 hydrochloride Pricemore >>

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