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Home > Other Heterocycles > 845866-62-8
845866-62-8 | 2,5-Diazabicyclo[2.2.1]heptane,2-(2-methylpropyl)-
CAS No: 845866-62-8 Catalog No: AG0052A7 MDL No:
Product Description
Catalog Number:
AG0052A7
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane,2-(2-methylpropyl)-
CAS Number:
845866-62-8
Molecular Formula:
C9H18N2
Molecular Weight:
154.2526
IUPAC Name:
(1S,4S)-2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H18N2.2C2HF3O2/c1-7(2)5-11-6-8-3-9(11)4-10-8;2*3-2(4,5)1(6)7/h7-10H,3-6H2,1-2H3;2*(H,6,7)/t8-,9-;;/m0../s1
InChI Key:
BDNRNCWCIWNXIQ-CDEWPDHBSA-N
SMILES:
CC(CN1C[C@@H]2C[C@H]1CN2)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
382.133g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
382.303g/mol
Monoisotopic Mass:
382.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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