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Structure

Glycine,N-(3-methylbenzoyl)-

CAS
27115-49-7
Catalog Number
ACM27115497
Category
Other Products
Molecular Weight
193.2
Molecular Formula
C10H11NO3

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Specification

Synonyms
N-(M-Toluoyl)glycine; N-m-Toluoyl-glycin; m-Toluric acid; 3-Methylbenzoylglycine; m-Methylhippuric acid; m-methylbenzoylglycine; 2-[(3-methylbenzoyl)amino]acetic acid; N-(3-Methylbenzoyl)glycine; 3-Methylhippuric acid;
IUPAC Name
2-[(3-methylbenzoyl)amino]acetic acid
Canonical SMILES
CC1=CC=CC(=C1)C(=O)NCC(=O)O
InChI Key
YKAKNMHEIJUKEX-UHFFFAOYSA-N
Boiling Point
418.5ºC at 760 mmHg
Melting Point
138-140ºC(lit.)
Flash Point
206.9ºC
Density
1.229 g/cm³
Appearance
White solid.
Exact Mass
193.07400
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
2
Safety Description
37/39-26
WGK Germany
3

Upstream Synthesis Route 1

  • 56-40-6
  • 1711-06-4
  • 27115-49-7

Reference: [1]Current Patent Assignee: MEMORIAL SLOAN-KETTERING CANCER CENTER; ST. JUDE CHILDRENS RESEARCH HOSPITAL - WO2017/49295, 2017, A1
Location in patent: Paragraph 00475

Downstream Synthesis Route 1

  • 27115-49-7
  • 99-61-6
  • 42344-23-0

Reference: [1]Islam,A.M. et al.
[Australian Journal of Chemistry, 1973, vol. 26, p. 1701 - 1704]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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