Methyl 4-carbamimidoylbenzoate acetate


Chemical Name: Methyl 4-carbamimidoylbenzoate acetate
CAS Number: 1172889-96-1
Product Number: AG000E1A(AGN-PC-0WAMDY)
Synonyms:
MDL No: MFCD08166275
Molecular Formula: C11H14N2O4
Molecular Weight: 238.2399

Identification/Properties


Computed Properties
Molecular Weight:
238.24g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
238.095357g/mol
Monoisotopic Mass:
238.095357g/mol
Topological Polar Surface Area:
114Ų
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
239
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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