rel-(1R,2R)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol

CAS Registry Number®

3689-55-2
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CAS Name

rel-(1R,2R)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol

Molecular Formula

C9H12N2O4

Molecular Mass

212.20

Cite this Page

rel-(1R,2R)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3689-55-2 (retrieved 2024-09-07) (CAS RN: 3689-55-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143-145 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/s2

InChIKey

InChIKey=OCYJXSUPZMNXEN-MDWBIBFBNA-N

SMILES

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

Canonical SMILES

O=N(=O)C1=CC=C(C=C1)C(O)C(N)CO

Other Names for this Substance

  • 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-rel-
  • 1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-, threo-(±)-
  • 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, (R*,R*)-(±)-
  • rel-(1R,2R)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
  • DL-trans-1-p-Nitrophenyl-2-amino-1,3-propanediol

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Deleted or Replaced CAS Registry Numbers

63526-31-8