1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-


Chemical Name: 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-
CAS Number: 103745-39-7
Product Number: AG00HA6E(AGN-PC-0JK6L1)
Synonyms:
MDL No:
Molecular Formula: C14H17N3O2S
Molecular Weight: 291.3687

Identification/Properties


Properties
BP:
506.2±60.0°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Solubility:
H2O: >200 mg/mL
Computed Properties
Molecular Weight:
291.369g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
291.104g/mol
Monoisotopic Mass:
291.104g/mol
Topological Polar Surface Area:
70.7A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
421
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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