Home Halogens 2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]ethan-1-one dihydrochloride

2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]ethan-1-one dihydrochloride

CAS No.:
1240527-40-5
Catalog Number:
AG01A9HW
Molecular Formula:
C12H18Cl3N3O
Molecular Weight:
326.6498
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Product Description
Catalog Number:
AG01A9HW
Chemical Name:
2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]ethan-1-one dihydrochloride
CAS Number:
1240527-40-5
Molecular Formula:
C12H18Cl3N3O
Molecular Weight:
326.6498
MDL Number:
MFCD16622087
IUPAC Name:
2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone;dihydrochloride
InChI:
InChI=1S/C12H16ClN3O.2ClH/c13-10-2-1-3-11(8-10)15-4-6-16(7-5-15)12(17)9-14;;/h1-3,8H,4-7,9,14H2;2*1H
InChI Key:
GJWMZWVVMMVZDO-UHFFFAOYSA-N
SMILES:
NCC(=O)N1CCN(CC1)c1cccc(c1)Cl.Cl.Cl
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.052g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
326.646g/mol
Monoisotopic Mass:
325.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties