Home Halogens 2-chloro-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one hydrochloride

2-chloro-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one hydrochloride

CAS No.:
1803596-45-3
Catalog Number:
AG01ALNO
Molecular Formula:
C12H17Cl2N3O
Molecular Weight:
290.1889
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Product Description
Catalog Number:
AG01ALNO
Chemical Name:
2-chloro-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one hydrochloride
CAS Number:
1803596-45-3
Molecular Formula:
C12H17Cl2N3O
Molecular Weight:
290.1889
MDL Number:
MFCD28954418
IUPAC Name:
2-chloro-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;hydrochloride
InChI:
InChI=1S/C12H16ClN3O.ClH/c1-10(13)12(17)16-8-6-15(7-9-16)11-4-2-3-5-14-11;/h2-5,10H,6-9H2,1H3;1H
InChI Key:
PSNJFQISSQSXCF-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccccn1)C(Cl)C.Cl
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.075g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.188g/mol
Monoisotopic Mass:
289.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties