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1245568-82-4 | 2-Amino-1-(4-phenylpiperazin-1-yl)ethan-1-one dihydrochloride
CAS No: 1245568-82-4 Catalog No: AG01FMG0 MDL No:MFCD17430362
Product Description
Catalog Number:
AG01FMG0
Chemical Name:
2-Amino-1-(4-phenylpiperazin-1-yl)ethan-1-one dihydrochloride
CAS Number:
1245568-82-4
Molecular Formula:
C12H19Cl2N3O
Molecular Weight:
292.2048
MDL Number:
MFCD17430362
IUPAC Name:
2-amino-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
InChI:
InChI=1S/C12H17N3O.2ClH/c13-10-12(16)15-8-6-14(7-9-15)11-4-2-1-3-5-11;;/h1-5H,6-10,13H2;2*1H
InChI Key:
RVWQDMDKRKTAQI-UHFFFAOYSA-N
SMILES:
NCC(=O)N1CCN(CC1)c1ccccc1.Cl.Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.204g/mol
Monoisotopic Mass:
291.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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