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Home > Pyridines > 1422140-14-4
1422140-14-4 | (5aR,9aS)-4-(pyridin-3-ylmethyl)-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine
CAS No: 1422140-14-4 Catalog No: AG01DHJR MDL No:
Product Description
Catalog Number:
AG01DHJR
Chemical Name:
(5aR,9aS)-4-(pyridin-3-ylmethyl)-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine
CAS Number:
1422140-14-4
Molecular Formula:
C14H21N3O
Molecular Weight:
247.3360
IUPAC Name:
(5aR,9aS)-4-(pyridin-3-ylmethyl)-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine
InChI:
InChI=1S/C14H21N3O/c1-2-12(8-15-4-1)10-17-6-7-18-14-9-16-5-3-13(14)11-17/h1-2,4,8,13-14,16H,3,5-7,9-11H2/t13-,14-/m1/s1
InChI Key:
HLTHHXFZRNWOMW-ZIAGYGMSSA-N
SMILES:
C1NC[C@@H]2[C@H](C1)CN(CCO2)Cc1cccnc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.342g/mol
Monoisotopic Mass:
247.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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