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STOCK3S-46102 structure
STOCK3S-46102 structure

STOCK3S-46102

Iupac Name:(2R)-2-(2-methylpropyl)piperazine
CAS No.: 853730-57-1
Molecular Weight:142.246
Modify Date.: 2021-08-10 18:45
1. Names and Identifiers
1.1 Name
STOCK3S-46102
1.2 Synonyms

(2e)-2-cyano-n-(furan-2-ylmethyl)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enamide (e)-2-cyano-n-(furan-2-ylmethyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide AC1LXP3T AC1Q4BXT AKOS005179387 MOLPORT-000-841-467 STK706981 ZINC2200089

1.3 CAS No.
853730-57-1
1.4 CID
44828687
1.5 Molecular Formula
C10H8N2O3S (isomer)
1.6 Inchi
InChI=1S/C8H18N2/c1-7(2)5-8-6-9-3-4-10-8/h7-10H,3-6H2,1-2H3/t8-/m1/s1
1.7 InChkey
BYYCSTYYULCJLQ-MRVPVSSYSA-N
1.8 Canonical Smiles
CC(C)CC1CNCCN1
1.9 Isomers Smiles
CC(C)C[C@@H]1CNCCN1
2. Properties
3.1 Refractive index
1.429
3. Computational chemical data
  • Molecular Weight: 142.246g/mol
  • Molecular Formula: C10H8N2O3S
  • Compound Is Canonicalized: True
  • XLogP3-AA: 0.9
  • Exact Mass: 142.146998583
  • Monoisotopic Mass: 142.146998583
  • Complexity: 91.3
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 24.1
  • Heavy Atom Count: 10
  • 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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R-2-Isobutyl-Piperazine
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R-2-ISOBUTYL-PIPERAZINE
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(R)-2-Isobutylpiperazinedihydrochloride
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R-2-ISOBUTYL-PIPERAZINE-2HCl
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(R)-2-Isobutylpiperazine dihydrochloride
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