Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 5   > 5-[bis(2-methoxyethyl)carbamoylamino]naphthalene-1-sulfonyl chloride
177966-68-6 structure

5-[bis(2-methoxyethyl)carbamoylamino]naphthalene-1-sulfonyl chloride

Iupac Name:N-(furan-2-ylmethyl)-7H-purin-6-amine;hydrochloride
CAS No.:177966-68-6
Molecular Weight:251.67
Molecular Formula:C21H25N5O2S (isomer)
Names and Identifiers
Synonyms

5-(3,3-bis(2-methoxyethyl)ureido)naphthalene-1-sulfonyl chloride 5-[3,3-bis-(2-methoxy-ethyl)-ureido]-naphthalene-1-sulfonyl chloride 5-[3,3-bis-(2-methoxyethyl)ureido]naphthalene-1-sulfonyl chloride 5-[3,3-bis(2-methoxyethyl)ureido]naphthalene-1-sulfonyl chloride AK513747 AKOS027445729 OR008609 ZINC95698370

Inchi
InChI=1S/C10H9N5O.ClH/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;/h1-3,5-6H,4H2,(H2,11,12,13,14,15);1H
InChkey
YKKPHTIEFMEGGL-UHFFFAOYSA-N
Canonical Smiles
C1=COC(=C1)CNC2=NC=NC3=C2NC=N3.Cl
Properties
Vapour
4.32E-11mmHg at 25°C
HS Code
29349990
Safety and Handling
Risk Statements
68-36/37/38
Safety Statements
24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:251.67g/mol
  • Molecular Formula:C21H25N5O2S
  • Compound Is Canonicalized:True
  • Exact Mass:251.057
  • Monoisotopic Mass:251.057
  • Complexity:239
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:79.6A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBzoAAEAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB/gAAHgAQAAAACAzhlwY19L7JlECo Aa5z5ACCiC21MKAJ2aGuXNiObjLE/XuXHSjswBPYqaaYEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
<