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851014-13-6 | Piperazine, 3-(1-methylethyl)-1-(phenylmethyl)-
CAS No: 851014-13-6 Catalog No: AG004XJZ MDL No:MFCD12025408
Product Description
Catalog Number:
AG004XJZ
Chemical Name:
Piperazine, 3-(1-methylethyl)-1-(phenylmethyl)-
CAS Number:
851014-13-6
Molecular Formula:
C14H22N2
Molecular Weight:
218.3379
MDL Number:
MFCD12025408
IUPAC Name:
1-benzyl-3-propan-2-ylpiperazine
InChI:
InChI=1S/C14H22N2/c1-12(2)14-11-16(9-8-15-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
InChI Key:
HPOGZEGDXGTDSX-UHFFFAOYSA-N
SMILES:
CC(C1NCCN(C1)Cc1ccccc1)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.344g/mol
Monoisotopic Mass:
218.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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