Benzoic acid, 4-hydroxy-3,5-dimethoxy-,4-[(aminoiminomethyl)amino]butyl ester


Chemical Name: Benzoic acid, 4-hydroxy-3,5-dimethoxy-,4-[(aminoiminomethyl)amino]butyl ester
CAS Number: 24697-74-3
Product Number: AG002P1O(AGN-PC-0R0GSL)
Synonyms:
MDL No:
Molecular Formula: C14H21N3O5
Molecular Weight: 311.3336

Identification/Properties


Properties
MP:
>157°C (dec.)
BP:
531.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
DMSO: soluble2mg/mL, clear (warmed)
Computed Properties
Molecular Weight:
311.338g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
9
Exact Mass:
311.148g/mol
Monoisotopic Mass:
311.148g/mol
Topological Polar Surface Area:
129A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
360
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:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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