rel-(1R,2R)-2-Amino-1-phenyl-1,3-propanediol

CAS Registry Number®

55057-81-3
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CAS Name

rel-(1R,2R)-2-Amino-1-phenyl-1,3-propanediol

Molecular Formula

C9H13NO2

Molecular Mass

167.21

Cite this Page

rel-(1R,2R)-2-Amino-1-phenyl-1,3-propanediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55057-81-3 (retrieved 2024-09-06) (CAS RN: 55057-81-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    86-87 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-,9-/s2

InChIKey

InChIKey=JUCGVCVPNPBJIG-MDWBIBFBNA-N

SMILES

[C@H]([C@H](CO)N)(O)C1=CC=CC=C1

Canonical SMILES

OCC(N)C(O)C=1C=CC=CC1

Other Names for this Substance

  • 1,3-Propanediol, 2-amino-1-phenyl-, (1R,2R)-rel-
  • 1,3-Propanediol, 2-amino-1-phenyl-, (R*,R*)-(±)-
  • rel-(1R,2R)-2-Amino-1-phenyl-1,3-propanediol
  • threo-2-Amino-1-phenylpropane-1,3-diol
  • 1,3-Propanediol, 2-amino-1-phenyl-, (R*,R*)-

Deleted or Replaced CAS Registry Numbers

5285-86-9, 36391-67-0