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Home> Hot Product Listed A   > Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(1H-pyrrol-2-ylmethyl)-
68476-78-8 structure

Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(1H-pyrrol-2-ylmethyl)-

Iupac Name:sodium;N-cyclohexylsulfamate
CAS No.:68476-78-8
Molecular Weight:201.21915
Molecular Formula:C15H27S3·I (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChkey
UDIPTWFVPPPURJ-UHFFFAOYSA-M
Canonical Smiles
C1CCC(CC1)NS(=O)(=O)[O-].[Na+]
Properties
Melting Point
>300 °C(lit.)
HS Code
29299000
Safety and Handling
Risk Statements
R22
Safety Statements
36/37
Reach Info
Computational chemical data
  • Molecular Weight:201.21915g/mol
  • Molecular Formula:C15H27S3·I
  • Compound Is Canonicalized:True
  • Exact Mass:201.044
  • Monoisotopic Mass:201.044
  • Complexity:205
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:77.6A^2
  • Heavy Atom Count:12
  • 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: AAADccBiMCBAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHAAQQAAACCjBAAQAAABAAAAA AAAAADAAAAAAAAAAAIAAAAAAAAIAgAAAAAAAEAAAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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