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847829-76-9 | Piperazine, 1-(3-chloro-2-pyridinyl)-3-methyl-, (3S)-
CAS No: 847829-76-9 Catalog No: AG004XOG MDL No:
Product Description
Catalog Number:
AG004XOG
Chemical Name:
Piperazine, 1-(3-chloro-2-pyridinyl)-3-methyl-, (3S)-
CAS Number:
847829-76-9
Molecular Formula:
C10H14ClN3
Molecular Weight:
211.6913
IUPAC Name:
(3S)-1-(3-chloropyridin-2-yl)-3-methylpiperazine
InChI:
InChI=1S/C10H14ClN3/c1-8-7-14(6-5-12-8)10-9(11)3-2-4-13-10/h2-4,8,12H,5-7H2,1H3/t8-/m0/s1
InChI Key:
ZIHUFGHPYQTYIP-QMMMGPOBSA-N
SMILES:
C[C@@H]1NCCN(C1)c1ncccc1Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
211.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.693g/mol
Monoisotopic Mass:
211.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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