p-Methylhippuric acid
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p-Methylhippuric acid
structure -
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CAS No:
27115-50-0
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Formula:
C10H11NO3
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Chemical Name:
p-Methylhippuric acid
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Synonyms:
Glycine,N-(4-methylbenzoyl)-;Hippuric acid,p-methyl-;N-(4-Methylbenzoyl)glycine;p-Methylhippuric acid;p-Toluric acid;4-Methylhippuric acid;N-(p-Methylbenzoyl)glycine;NSC 126814;[[(4-Methylphenyl)carbonyl]amino]acetic acid;(4-Methylbenzoylamino)acetic acid;2-[(4-Methylbenzoyl)amino]acetic acid;2-[(4-Methylphenyl)formamido]acetic acid
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CAS No:
Description
WHITE CRYSTALLINE POWDER
Solid
P-methylhippuric acid is an N-acylglycine in which the acyl group is specified as 4-methylbenzoyl. It has a role as a metabolite.|4-Methylhippuric Acid is an isoform of methylhippuric acid where the methyl and glycine groups are bound to carbon-1 and carbon-4 on the benzene ring, respectively. Since 4-methylhippuric acid (4-MHA) is a metabolite of p-xylene, the measurement of 4-MHA in urine may be correlated to a subject's level of xylene exposure.
p-Methylhippuric acid Basic Attributes
193.2
193.20
248-231-8
9QOX0DSK6F
126814
DTXSID00181580
C173417
2924299090
Characteristics
66.40000
1.20030
White crystalline powder
1.229g/cm3
161-162 °C
329.41°C (rough estimate)
217.3ºC
1.58E-08mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
37/39-26
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
p-Methylhippuric acid Use and Manufacturing
A substituted hippurate analog as substrate and inhibitor of peptidylglycine α-hydroxylating monooxygenase (PHM).
Computed Properties
Molecular Weight:193.20
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:193.07389321
Monoisotopic Mass:193.07389321
Topological Polar Surface Area:66.4
Heavy Atom Count:14
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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