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Home> Hot Product Listed 2   > 2-Propanol,1-amino-3-(1-naphthalenyloxy)-, (2S)-
9083-41-4 structure

2-Propanol,1-amino-3-(1-naphthalenyloxy)-, (2S)-

CAS No.:9083-41-4
Molecular Weight:861.3676
Molecular Formula:C22H36N2+2 (isomer)
Names and Identifiers
Synonyms

(2S)-(-)-1-(1-Naphthyloxy)-3-amino-2-propanol (S)-N-Desisopropylpropranolol 2-Propanol,1-amino-3-(1-naphthalenyloxy)-, (S)-

Inchi
InChI=1S/C18H34O3.C18H34O2.C18H32O2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);9-10H,2-8,11-17H2,1H3,(H,19,20);7-10H,2-6,11-17H2,1H3,(H,19,20)/b12-9+;10-9+;8-7+,10-9+
Canonical Smiles
CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCC=CC=CCCCCCCCC(=O)O.CCCCCCC(CC=CCCCCCCCC(=O)O)O
Isomers Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCC/C=C/C=C/CCCCCCCC(=O)O.CCCCCCC(C/C=C/
CCCCCCCC(=O)O)O
Properties
Density
1.132
Melting Point
Freezing point: -10 deg C
Boiling Point
294°Cat760mmHg
Flash Point
99.4°C
Reach Info
Computational chemical data
  • Molecular Weight:861.3676g/mol
  • Molecular Formula:C22H36N2+2
  • Exact Mass:860.746906
  • Monoisotopic Mass:860.746906
  • Complexity:761
  • Rotatable Bond Count:44
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:132
  • Heavy Atom Count:61
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:4
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
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