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132747-20-7 | 2,5-Diazabicyclo[2.2.1]heptane, hydrobromide (1:2), (1S,4S)-
CAS No: 132747-20-7 Catalog No: AG00113G MDL No:MFCD08272741
Product Description
Catalog Number:
AG00113G
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, hydrobromide (1:2), (1S,4S)-
CAS Number:
132747-20-7
Molecular Formula:
C5H12Br2N2
Molecular Weight:
259.9702
MDL Number:
MFCD08272741
IUPAC Name:
(1S,4S)-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide
InChI:
InChI=1S/C5H10N2.2BrH/c1-4-2-6-5(1)3-7-4;;/h4-7H,1-3H2;2*1H/t4-,5-;;/m0../s1
InChI Key:
ISYQWKOXKGJREA-RSLHMRQOSA-N
SMILES:
N1C[C@@H]2C[C@H]1CN2.Br.Br
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
259.935g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
259.973g/mol
Monoisotopic Mass:
257.937g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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