(3R)-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate;hydrochloride


Chemical Name: (3R)-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate;hydrochloride
CAS Number: 99614-01-4
Product Number: AG0065JT(AGN-PC-0H1NJH)
Synonyms:
MDL No: MFCD00374371
Molecular Formula: C18H24ClN3O3
Molecular Weight: 365.8545

Identification/Properties


Properties
MP:
176-181°C
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
329.828g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
329.129g/mol
Monoisotopic Mass:
329.129g/mol
Topological Polar Surface Area:
39.8A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
440
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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