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Home> Hot Product Listed 2   > [2-(4-METHOXYPHENOXY)ETHYL]AMMONIUM CHLORIDE
114903-31-0 structure

[2-(4-METHOXYPHENOXY)ETHYL]AMMONIUM CHLORIDE

Iupac Name:(2R)-3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CAS No.:114903-31-0
Molecular Weight:338.788
Molecular Formula:C25H45N3O8S (isomer)
Names and Identifiers
Synonyms

[2-(4-methoxyphenoxy)ethyl]ammonium chloride, aldrichcpr 1-(2-aminoethoxy)-4-methoxybenzene hydrochloride 2-(4-methoxyphenoxy)ethan-1-amine hydrochloride 2-(4-methoxyphenoxy)ethanamine hydrochloride 2-(4-methoxyphenoxy)ethylamine hydrochloride 2-(4-methoxyphenoxy)ethylaminehydrochloride AB0168557 AC1Q3C3Z AKOS026676865 EN300-39061 L-2645 MCULE-6415348599 MOLPORT-000-156-866 OR146898 SCHEMBL1623684 YCFXTJDWVNEVEX-UHFFFAOYSA-N

Inchi
InChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(22)19-13(14(20)21)6-9-8-18-12-5-4-10(17)7-11(9)12/h4-5,7-8,13,18H,6H2,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChkey
PZZXAZAYKCNQAL-CYBMUJFWSA-N
Canonical Smiles
CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O
Properties
Density
1.222
Boiling Point
434.9°C at 760 mmHg
Flash Point
239.2°C
Computational chemical data
  • Molecular Weight:338.788g/mol
  • Molecular Formula:C25H45N3O8S
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.6
  • Exact Mass:338.103
  • Monoisotopic Mass:338.103
  • Complexity:452
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:91.4A^2
  • Heavy Atom Count:23
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceB7OAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgIQCAAADG7BniQ+yPLJlgCo AzT3XACCgCAxByAI2aG4ZpkKIPLBk7GMYAhklgDYyAeY2fKOgABAIAACAAAAAIBAAAQAAAAAAAAA AA==
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