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101651-64-3 | Acetamide, N-(2-chlorophenyl)-2-[ethyl[2-(1-piperidinyl)ethyl]amino]-, hydrochloride (1:2)
CAS No: 101651-64-3 Catalog No: AG000527 MDL No:
Product Description
Catalog Number:
AG000527
Chemical Name:
Acetamide, N-(2-chlorophenyl)-2-[ethyl[2-(1-piperidinyl)ethyl]amino]-, hydrochloride (1:2)
CAS Number:
101651-64-3
Molecular Formula:
C17H28Cl3N3O
Molecular Weight:
396.7827
IUPAC Name:
[2-(2-chloroanilino)-2-oxoethyl]-ethyl-(2-piperidin-1-ylethyl)azanium;dichloride
InChI:
InChI=1S/2C17H26ClN3O.2ClH/c2*1-2-20(12-13-21-10-6-3-7-11-21)14-17(22)19-16-9-5-4-8-15(16)18;;/h2*4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,19,22);2*1H
InChI Key:
ZMGFDMVIFOKBPS-UHFFFAOYSA-N
SMILES:
CCN(CC(=O)Nc1ccccc1Cl)CCN1CCCCC1.Cl.Cl
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
720.303g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
720.646g/mol
Monoisotopic Mass:
718.306g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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