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Home> Hot Product Listed T   > T6732852
229323-04-0 structure

T6732852

Iupac Name:[(3R)-1-benzylpyrrolidin-3-yl]methanamine
CAS No.:229323-04-0
Molecular Weight:190.29
Molecular Formula:C19H25N5O4S (isomer)
Names and Identifiers
Synonyms

MCULE-7650216644 MOLPORT-009-169-383 n-methyl-5-oxo-n-[1-(propan-2-yl)piperidin-4-yl]-2h,3h,5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide Z284166934 ZINC43114202

Inchi
InChI=1S/C12H18N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2/t12-/m1/s1
InChkey
SUAKIVNGQVUKJA-GFCCVEGCSA-N
Canonical Smiles
C1CN(CC1CN)CC2=CC=CC=C2
Properties
Vapour
0.003mmHg at 25°C
Refractive Index
1.563
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:190.29g/mol
  • Molecular Formula:C19H25N5O4S
  • Compound Is Canonicalized:True
  • Exact Mass:190.147
  • Monoisotopic Mass:190.147
  • Complexity:164
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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