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Home> Hot Product Listed P   > Piperidinium,1-[2-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]methylamino]ethyl]-1-methyl-,bromide (1:1...
45798-01-4 structure

Piperidinium,1-[2-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]methylamino]ethyl]-1-methyl-,bromide (1:1)

Iupac Name:4-methylpiperazine-1-carboximidamide
CAS No.:45798-01-4
Molecular Weight:142.206
Molecular Formula:C19H23CL2NO2 (isomer)
Names and Identifiers
Synonyms

1-(2-{[hydroxy(phenyl)thiophen-2-ylacetyl](methyl)amino}ethyl)-1-methylpiperidinium bromide 2-hydroxy-n-methyl-n-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide bromide AC1L4UM5 AC1Q1RFL CTK4F7008 fc 117 Piperidinium, 1-methyl-1-[2-(N-methyl-a-2-thienylmandelamido)ethyl]-, bromide (8CI) Piperidinium,1-[2-[(hydroxyphenyl-2-thienylacetyl)methylamino]ethyl]-1-methyl-, bromide(9CI)

Inchi
InChI=1S/C6H14N4/c1-9-2-4-10(5-3-9)6(7)8/h2-5H2,1H3,(H3,7,8)
InChkey
JJAQEBBJCVBCKC-UHFFFAOYSA-N
Canonical Smiles
CN1CCN(CC1)C(=N)N
Properties
Boiling Point
322.9°C at 760 mmHg
HS Code
29335990
Reach Info
Computational chemical data
  • Molecular Weight:142.206g/mol
  • Molecular Formula:C19H23CL2NO2
  • Compound Is Canonicalized:True
  • Exact Mass:142.122
  • Monoisotopic Mass:142.122
  • Complexity:126
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:56.4A^2
  • Heavy Atom Count:10
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccBjgAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHAAQAAAAAADBAAQDAANAAAAg AAAAIAAAAACAAAABAAAIAACAQAAACAAQAAAAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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