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About This Item
Linear Formula:
ClCH2CH2NHCONHC6H4CO2CH3
CAS Number:
Molecular Weight:
256.69
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
assay
98%
mp
142 °C (lit.)
SMILES string
COC(=O)c1ccccc1NC(=O)NCCCl
InChI
1S/C11H13ClN2O3/c1-17-10(15)8-4-2-3-5-9(8)14-11(16)13-7-6-12/h2-5H,6-7H2,1H3,(H2,13,14,16)
InChI key
NUKAPQXOPXRWBX-UHFFFAOYSA-N
General description
Methyl 2-[3-(2-chloroethyl)ureido]benzoate is a compound that contains a ureido group (–NH–(C = O)–NH–).[1]
Application
Methyl 2-[3-(2-chloroethyl)ureido]benzoate was used as a model compound in assigning a possible structure to the nitrogen-rich segment in a fulvic acid (FA) from Pony Lake in Antarctica based on the 15N chemical-shift trends and 15N NMR.[1]
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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15N and 13C {14N} NMR investigation of the major nitrogen-containing segment in an aquatic fulvic acid: Evidence for a hydantoin derivative.
Fang X, et al.
Magnetic Resonance in Chemistry, 49(12), 775-780 (2011)
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