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20684-29-1 | 1-Piperazineacetic acid, α-ethyl-4-methyl-, 2,6-dimethylphenyl ester, hydrochloride (1:1)
CAS No: 20684-29-1 Catalog No: AG002IPU MDL No:
Product Description
Catalog Number:
AG002IPU
Chemical Name:
1-Piperazineacetic acid, α-ethyl-4-methyl-, 2,6-dimethylphenyl ester, hydrochloride (1:1)
CAS Number:
20684-29-1
Molecular Formula:
C17H27ClN2O2
Molecular Weight:
326.8615
IUPAC Name:
(2,6-dimethylphenyl) 2-(4-methylpiperazin-1-yl)butanoate;hydrochloride
InChI:
InChI=1S/C17H26N2O2.ClH/c1-5-15(19-11-9-18(4)10-12-19)17(20)21-16-13(2)7-6-8-14(16)3;/h6-8,15H,5,9-12H2,1-4H3;1H
InChI Key:
LVAUXSVPYFVQSV-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Oc1c(C)cccc1C)N1CCN(CC1)C.Cl
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.176g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.865g/mol
Monoisotopic Mass:
326.176g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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