Methenamine mandelate
Properties
- Molecular formula
- C14H20N4O3
- Molar mass
- 292.34 g/mol
- Exact mass
- 292.1535 Da
- Melting point
- 129.2–129.5 °C
- logP
- -0.22Crippen estimate
- Polar surface area
- 70.5 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 2
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
587-23-5SMILES
C1N2CN3CN1CN(C2)C3.O=C(O)C(O)c1ccccc1InChIKey
UXNFIJPHRQEWRQ-UHFFFAOYSA-NInChI
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);1-6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
35 names · show all
- 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
- 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, mono(α-hydroxybenzeneacetate)
- Diuramine
- Hexamethylenetetramine mandelate
- Hexydaline
- Mandalay
- Mandelamine
- Mantropine
- Methavin
- Penelate
- Uromandelin
- Uronamin
- Hexamethylenetetramine phenylglycolate
- Hexamethyleneamine mandelate
- Mandurin
- Reflux
- Renelate
- Mandoz
- Cedulamin
- Uronamine
- Mandastat
- Mandacon
- Uro-cedulamin
- Prov-U-sep
- Mandopan
- Mandural
- Mandelic acid methenamine salt
- Uroqid
- Hexamethylenamine mandelate
- Hexamine mandelate
- 1,3,5,7-Tetraazaadamantane 2-hydroxy-2-phenylacetate
Work with Methenamine mandelate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Mandelic acid90-64-2Free acid
Mandelic acid611-72-3Free acid
(-)-Mandelic acid611-71-2Free acid, defined stereoisomer
(S)-Mandelic acid17199-29-0Free acid, defined stereoisomer
Hexamethylenetetramine100-97-0Free base
Methenamine hippurate5714-73-8Salt
Benzeneacetic acid, α-hydroxy-, (αR)-(1R,2S)-compd. with 2-(3,4-difluorophenyl)cyclopropanamine (1:1)376608-71-8Salt, defined stereoisomer
Similar compounds
4-Hydroxymandelic acid1198-84-156 % similar
(R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-953 % similar
4-Fluoromandelic acid395-33-553 % similar
4-Chloromandelic acid492-86-453 % similar
4-Bromomandelic acid6940-50-753 % similar
4-Bromomandelic acid7021-04-753 % similar
4-Chloromandelic acid7138-34-353 % similar
3-Chloromandelic acid16273-37-353 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds