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Home> Hot Product Listed M   > MS-3616
135072-23-0 structure

MS-3616

Iupac Name:N,N-dimethylmorpholine-2-carboxamide
CAS No.:135072-23-0
Molecular Weight:158.201
Molecular Formula:C23H32N4OS (isomer)
Names and Identifiers
Synonyms

AC1N70R0 AKOS005110196 KS-000028EB MCULE-4745856220 MOLPORT-002-887-974 n-[2-(2,4-dichlorophenoxy)ethyl]-4-fluorobenzene-1-sulfonamide n-[2-(2,4-dichlorophenoxy)ethyl]-4-fluorobenzenesulfonamide sr-01000310177 SR-01000310177-1 ZINC4110349

Inchi
InChI=1S/C7H14N2O2/c1-9(2)7(10)6-5-8-3-4-11-6/h6,8H,3-5H2,1-2H3
InChkey
BLBLRJCALSOJFU-UHFFFAOYSA-N
Canonical Smiles
CN(C)C(=O)C1CNCCO1
Properties
Vapour
0.003mmHg at 25°C
Refractive Index
1.464
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:158.201g/mol
  • Molecular Formula:C23H32N4OS
  • Compound Is Canonicalized:True
  • Exact Mass:158.106
  • Monoisotopic Mass:158.106
  • Complexity:147
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:41.6A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAACBThgAYCAAPABAAI AAEQEAIAAAAAAAAAAIFIAAACAAgAQAQHAAAAEgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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