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1-Propanone,3-(dimethylamino)-1-(5,6,7,8-tetrahydro-2-naphthalenyl)-, hydrochloride (1:1) structure
1-Propanone,3-(dimethylamino)-1-(5,6,7,8-tetrahydro-2-naphthalenyl)-, hydrochloride (1:1) structure

1-Propanone,3-(dimethylamino)-1-(5,6,7,8-tetrahydro-2-naphthalenyl)-, hydrochloride (1:1)

Iupac Name:2-[(E)-octadec-9-enoxy]ethanol
CAS No.:17367-07-6
Molecular Weight:312.538
1. Names and Identifiers
1.1 Name
1-Propanone,3-(dimethylamino)-1-(5,6,7,8-tetrahydro-2-naphthalenyl)-, hydrochloride (1:1)
1.2 Synonyms

1-propanone, 3-(dimethylamino)-1-(5,6,7,8-tetrahydro-2-naphthalenyl)-, hydrochloride 1-Propanone,3-(dimethylamino)-1-(5,6,7,8-tetrahydro-2-naphthalenyl)-, hydrochloride (9CI) 3-(dimethylamino)-1-(5,6,7,8-tetrahydro-2-naphthalenyl)-1-propanone hydrochloride 3-(dimethylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one hydrochloride 3-(dimethylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one hydrochloridyl 6966-14-9 AC1L47A7 DTXSID20219955 NSC 18739 nsc18739 OR100120

1.3 CAS No.
17367-07-6
1.4 CID
5367702
1.5 Molecular Formula
C17H28O3 (isomer)
1.6 Inchi
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3/b10-9+
1.7 InChkey
KWVPFECTOKLOBL-MDZDMXLPSA-N
1.8 Canonical Smiles
CCCCCCCCC=CCCCCCCCCOCCO
1.9 Isomers Smiles
CCCCCCCC/C=C/CCCCCCCCOCCO
2. Properties
2.1 Density
1.46
2.2 Boiling Point
444.2°Cat760mmHg
2.3 Flash Point
271.3°C
3. Computational chemical data
  • Molecular Weight:312.538g/mol
  • Molecular Formula:C17H28O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:7.3
  • Exact Mass:312.302830514
  • Monoisotopic Mass:312.302830514
  • Complexity:214
  • Rotatable Bond Count:18
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1