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125224-62-6 | 2,5-Diazabicyclo[2.2.1]heptane, 2-methyl-, hydrobromide (1:2), (1S,4S)-
CAS No: 125224-62-6 Catalog No: AG000NDH MDL No:MFCD01863510
Product Description
Catalog Number:
AG000NDH
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-methyl-, hydrobromide (1:2), (1S,4S)-
CAS Number:
125224-62-6
Molecular Formula:
C6H14Br2N2
Molecular Weight:
273.9968
MDL Number:
MFCD01863510
IUPAC Name:
(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide
InChI:
InChI=1S/C6H12N2.2BrH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m0../s1
InChI Key:
WLUAJCSMROZCDP-USPAICOZSA-N
SMILES:
CN1C[C@@H]2C[C@H]1CN2.Br.Br
EC Number:
411-000-9
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
273.95g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274g/mol
Monoisotopic Mass:
271.952g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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