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1199773-19-7 | Piperazine, 1-(3-bromo-5-methyl-2-pyridinyl)-4-ethyl-, hydrochloride (1:1)
CAS No: 1199773-19-7 Catalog No: AG000PXN MDL No:MFCD13195786
Product Description
Catalog Number:
AG000PXN
Chemical Name:
Piperazine, 1-(3-bromo-5-methyl-2-pyridinyl)-4-ethyl-, hydrochloride (1:1)
CAS Number:
1199773-19-7
Molecular Formula:
C12H19BrClN3
Molecular Weight:
320.6564
MDL Number:
MFCD13195786
IUPAC Name:
1-(3-bromo-5-methylpyridin-2-yl)-4-ethylpiperazine;hydrochloride
InChI:
InChI=1S/C12H18BrN3.ClH/c1-3-15-4-6-16(7-5-15)12-11(13)8-10(2)9-14-12;/h8-9H,3-7H2,1-2H3;1H
InChI Key:
FVYJULXSGWDUGE-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1ncc(cc1Br)C.Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.659g/mol
Monoisotopic Mass:
319.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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