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113914-54-8 | Ethanone, 1-[4-(2-chloroethyl)-1-piperazinyl]-2-(dimethylamino)-, hydrochloride (1:?)
CAS No: 113914-54-8 Catalog No: AG000A1E MDL No:
Product Description
Catalog Number:
AG000A1E
Chemical Name:
Ethanone, 1-[4-(2-chloroethyl)-1-piperazinyl]-2-(dimethylamino)-, hydrochloride (1:?)
CAS Number:
113914-54-8
Molecular Formula:
C10H21Cl2N3O
Molecular Weight:
270.1992
IUPAC Name:
1-[4-(2-chloroethyl)piperazin-1-yl]-2-(dimethylamino)ethanone;hydrochloride
InChI:
InChI=1S/C10H20ClN3O.ClH/c1-12(2)9-10(15)14-7-5-13(4-3-11)6-8-14;/h3-9H2,1-2H3;1H
InChI Key:
XTTFORSHZNFWEW-UHFFFAOYSA-N
SMILES:
ClCCN1CCN(CC1)C(=O)CN(C)C.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.198g/mol
Monoisotopic Mass:
269.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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