Methenamine mandelate

CAS Registry Number®

587-23-5

CAS Name

Methenamine mandelate

Molecular Formula

C8H8O3.C6H12N4

Cite this Page

Methenamine mandelate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=587-23-5 (retrieved 2024-11-22) (CAS RN: 587-23-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    129.2-129.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H8O3.C6H12N4/c9-7(8(10)11)6-4-2-1-3-5-6;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5,7,9H,(H,10,11);1-6H2

InChIKey

InChIKey=UXNFIJPHRQEWRQ-UHFFFAOYSA-N

SMILES

N12CN3CN(C1)CN(C2)C3.C(C(O)=O)(O)C1=CC=CC=C1

Canonical SMILES

O=C(O)C(O)C=1C=CC=CC1.N12CN3CN(C1)CN(C2)C3

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-, compd. with 1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane (1:1)
  • Mandelic acid, compd. with hexamethylenetetramine (1:1)
  • Mandelic acid, salt with (CH2)6N4
  • Hexamethylenetetramine, compd. with mandelic acid
  • Hexamethylenetetramine, monomandelate

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Deleted or Replaced CAS Registry Numbers

19442-87-6

CAS INSIGHTSTM
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