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286943-81-5 | 2,5-Diazabicyclo[2.2.1]heptane, 2-(3-pyridinyl)-, (1R,4R)-
CAS No: 286943-81-5 Catalog No: AG002W4O MDL No:MFCD18833265
Product Description
Catalog Number:
AG002W4O
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-(3-pyridinyl)-, (1R,4R)-
CAS Number:
286943-81-5
Molecular Formula:
C10H13N3
Molecular Weight:
175.2303
MDL Number:
MFCD18833265
IUPAC Name:
(1R,4R)-2-pyridin-3-yl-2,5-diazabicyclo[2.2.1]heptane
InChI:
InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2/t8-,10-/m1/s1
InChI Key:
ZGHKBXCWIZHPBZ-PSASIEDQSA-N
SMILES:
c1ccc(cn1)N1C[C@H]2C[C@@H]1CN2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
175.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.235g/mol
Monoisotopic Mass:
175.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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