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13157-36-3 | Piperazine, 2-methyl-2-phenyl-
CAS No: 13157-36-3 Catalog No: AG000ZGB MDL No:
Product Description
Catalog Number:
AG000ZGB
Chemical Name:
Piperazine, 2-methyl-2-phenyl-
CAS Number:
13157-36-3
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
IUPAC Name:
2-methyl-2-phenylpiperazine
InChI:
InChI=1S/C11H16N2/c1-11(9-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3
InChI Key:
HHMKNVVHZIMWQY-UHFFFAOYSA-N
SMILES:
CC1(NCCNC1)c1ccccc1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.263g/mol
Monoisotopic Mass:
176.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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