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Home > Pyridines > 1038369-13-9
1038369-13-9 | 1-(1,4-diazepan-1-yl)-2-(pyridin-2-yl)ethan-1-one
CAS No: 1038369-13-9 Catalog No: AG01A7FO MDL No:MFCD11204364
Product Description
Catalog Number:
AG01A7FO
Chemical Name:
1-(1,4-diazepan-1-yl)-2-(pyridin-2-yl)ethan-1-one
CAS Number:
1038369-13-9
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD11204364
IUPAC Name:
1-(1,4-diazepan-1-yl)-2-pyridin-2-ylethanone
InChI:
InChI=1S/C12H17N3O/c16-12(10-11-4-1-2-6-14-11)15-8-3-5-13-7-9-15/h1-2,4,6,13H,3,5,7-10H2
InChI Key:
AALBOSBWLHZFAP-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCCC1)Cc1ccccn1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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