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1788036-26-9 | 2,5-Diazabicyclo[2.2.1]heptane, 2-ethyl-, hydrobromide (1:2), (1R,4R)-
CAS No: 1788036-26-9 Catalog No: AG0026BL MDL No:MFCD28501229
Product Description
Catalog Number:
AG0026BL
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-ethyl-, hydrobromide (1:2), (1R,4R)-
CAS Number:
1788036-26-9
Molecular Formula:
C7H16Br2N2
Molecular Weight:
288.0233
MDL Number:
MFCD28501229
IUPAC Name:
(1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide
InChI:
InChI=1S/C7H14N2.2BrH/c1-2-9-5-6-3-7(9)4-8-6;;/h6-8H,2-5H2,1H3;2*1H/t6-,7-;;/m1../s1
InChI Key:
YCJIQGKHRWTERD-GPJOBVNKSA-N
SMILES:
CCN1C[C@H]2C[C@@H]1CN2.Br.Br
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
287.966g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.027g/mol
Monoisotopic Mass:
285.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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