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Home > Pyridines > 1211755-83-7
1211755-83-7 | 1-(1,4-diazepan-1-yl)-2-(pyridin-2-yl)ethan-1-one hydrochloride
CAS No: 1211755-83-7 Catalog No: AG019XSC MDL No:MFCD13196304
Product Description
Catalog Number:
AG019XSC
Chemical Name:
1-(1,4-diazepan-1-yl)-2-(pyridin-2-yl)ethan-1-one hydrochloride
CAS Number:
1211755-83-7
Molecular Formula:
C12H18ClN3O
Molecular Weight:
255.7438
MDL Number:
MFCD13196304
IUPAC Name:
1-(1,4-diazepan-1-yl)-2-pyridin-2-ylethanone;hydrochloride
InChI:
InChI=1S/C12H17N3O.ClH/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;1H
InChI Key:
LNAPXINLMXVNFP-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCCC1)Cc1ccccn1.Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.746g/mol
Monoisotopic Mass:
255.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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