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Home > Pyridines > 946386-12-5
946386-12-5 | 1,4-bis(3-methylpyridin-2-yl)-1,4-diazepane
CAS No: 946386-12-5 Catalog No: AG00JW8R MDL No:MFCD09749672
Product Description
Catalog Number:
AG00JW8R
Chemical Name:
1,4-bis(3-methylpyridin-2-yl)-1,4-diazepane
CAS Number:
946386-12-5
Molecular Formula:
C17H22N4
Molecular Weight:
282.3834
MDL Number:
MFCD09749672
IUPAC Name:
1,4-bis(3-methylpyridin-2-yl)-1,4-diazepane
InChI:
InChI=1S/C17H22N4/c1-14-6-3-8-18-16(14)20-10-5-11-21(13-12-20)17-15(2)7-4-9-19-17/h3-4,6-9H,5,10-13H2,1-2H3
InChI Key:
DCZJHJUKHSVOPT-UHFFFAOYSA-N
SMILES:
Cc1cccnc1N1CCCN(CC1)c1ncccc1C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.184g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.391g/mol
Monoisotopic Mass:
282.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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