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Home> Hot Product Listed N   > nsc 15878-d10
134987-46-5 structure

nsc 15878-d10

Iupac Name:1-[4-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
hydrochloride
CAS No.:134987-46-5
Molecular Weight:327.844563
Molecular Formula:C19H17N3O3 (isomer)
Names and Identifiers
Synonyms

2-(diethylamino)acetonitrile-d10 2-{bis[(1,1,2,2,2-(2)h?)ethyl]amino}acetonitrile CTK8F3643 diethyl-d10-aminoacetonitrile lvpzsmibsmmlpi-mwukxhibsa-n n,n-diethyl-d10-aminoacetonitrile n,n-diethyl-d10-glycinonitrile NSC 15878-d1

Inchi
InChI=1/C16H18FNOS.ClH/c1-18(2)11-12-7-8-13(17)9-16(12)20-15-6-4-5-14(10-15)19-3;/h4-10H,11H2,1-3H3;1H
Canonical Smiles
CN(C)CC1=C(C=C(C=C1)F)SC2=CC=CC(=C2)OC.Cl
Properties
Vapour
1.2E-05mmHg at 25°C
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:327.844563g/mol
  • Molecular Formula:C19H17N3O3
  • Exact Mass:327.085991
  • Monoisotopic Mass:327.085991
  • Complexity:290
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:37.8
  • Heavy Atom Count:21
  • 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
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