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28570-43-6 | 1H-Pyrido[2,3-c]azepine, 2,3,4,4a,5,6,9,9a-octahydro-
CAS No: 28570-43-6 Catalog No: AG002VQ8 MDL No:
Product Description
Catalog Number:
AG002VQ8
Chemical Name:
1H-Pyrido[2,3-c]azepine, 2,3,4,4a,5,6,9,9a-octahydro-
CAS Number:
28570-43-6
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
IUPAC Name:
2,3,4,4a,5,6,9,9a-octahydro-1H-pyrido[2,3-c]azepine
InChI:
InChI=1S/C9H16N2/c1-3-8-4-2-6-11-9(8)7-10-5-1/h5,8-9,11H,1-4,6-7H2
InChI Key:
DJWYQNWRMVIQIX-UHFFFAOYSA-N
SMILES:
C1=NCC2C(CC1)CCCN2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.241g/mol
Monoisotopic Mass:
152.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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