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1422065-11-9 | (3aR,6aS)-1-(pyridin-3-ylmethyl)octahydropyrrolo[3,2-b]pyrrole
CAS No: 1422065-11-9 Catalog No: AG01DJ5X MDL No:
Product Description
Catalog Number:
AG01DJ5X
Chemical Name:
(3aR,6aS)-1-(pyridin-3-ylmethyl)octahydropyrrolo[3,2-b]pyrrole
CAS Number:
1422065-11-9
Molecular Formula:
C12H17N3
Molecular Weight:
203.2835
IUPAC Name:
(3aS,6aR)-4-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole
InChI:
InChI=1S/C12H17N3/c1-2-10(8-13-5-1)9-15-7-4-11-12(15)3-6-14-11/h1-2,5,8,11-12,14H,3-4,6-7,9H2/t11-,12+/m1/s1
InChI Key:
OOBSLYJWXMHXHX-NEPJUHHUSA-N
SMILES:
C1N[C@H]2[C@H](C1)N(CC2)Cc1cccnc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
203.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.289g/mol
Monoisotopic Mass:
203.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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