2,5-Diazabicyclo[2.2.1]heptane, 2-(phenylmethyl)-, dihydrobromide,(1S,4S)-


Chemical Name: 2,5-Diazabicyclo[2.2.1]heptane, 2-(phenylmethyl)-, dihydrobromide,(1S,4S)-
CAS Number: 116258-17-4
Product Number: AG000C1V(AGN-PC-0P8TLE)
Synonyms:
MDL No:
Molecular Formula: C12H18Br2N2
Molecular Weight: 350.0927

Identification/Properties


Properties
MP:
270 °C(dec.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
16 ° (C=3, 2mol/L NaOH)
Computed Properties
Molecular Weight:
350.098g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
349.982g/mol
Monoisotopic Mass:
347.984g/mol
Topological Polar Surface Area:
15.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
199
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
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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