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Home> Hot Product Listed 1   > 1-Propanaminium,N-ethyl-N,N-dimethyl-2-[2-(triethylammonio)ethoxy]-, bromide (1:2)
135417-65-1 structure

1-Propanaminium,N-ethyl-N,N-dimethyl-2-[2-(triethylammonio)ethoxy]-, bromide (1:2)

Iupac Name:3-phenylimidazole-4-carboxylic acid
CAS No.:135417-65-1
Molecular Weight:188.186
Molecular Formula:C6H13NO2 (isomer)
Names and Identifiers
Synonyms

1-Propanaminium,N-ethyl-N,N-dimethyl-2-[2-(triethylammonio)ethoxy]-, dibromide (9CI) AC1L2H2T ammonium, (2-methyl-2-(2-(triethylammonio)ethoxy)ethyl)ethyldimethyl-, dibromide as-8773 LS-18695 triethyl-[2-[1-[ethyl(dimethyl)azaniumyl]propan-2-yloxy]ethyl]azanium dibromide

Inchi
InChI=1S/C10H8N2O2/c13-10(14)9-6-11-7-12(9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChkey
FSVMTMFHLLEQAS-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)N2C=NC=C2C(=O)O
Properties
Density
1.581
Boiling Point
456.2°C at 760 mmHg
Flash Point
81.1°C
Computational chemical data
  • Molecular Weight:188.186g/mol
  • Molecular Formula:C6H13NO2
  • Compound Is Canonicalized:True
  • Exact Mass:188.059
  • Monoisotopic Mass:188.059
  • Complexity:214
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:55.1A^2
  • Heavy Atom Count:14
  • 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: AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAACAAACAjBlgQ92JcMEgCo ATT3bASCgC03EqAJ2AG4fMiKbGrAmbGUYIhqgALY2OcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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