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1240574-62-2 | 3-methyl-1-(2-methylbenzoyl)piperazine
CAS No: 1240574-62-2 Catalog No: AG00JVHB MDL No:MFCD16811446
Product Description
Catalog Number:
AG00JVHB
Chemical Name:
3-methyl-1-(2-methylbenzoyl)piperazine
CAS Number:
1240574-62-2
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD16811446
IUPAC Name:
(2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
InChI:
InChI=1S/C13H18N2O/c1-10-5-3-4-6-12(10)13(16)15-8-7-14-11(2)9-15/h3-6,11,14H,7-9H2,1-2H3
InChI Key:
FQKXQGRMNAHYBN-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)C(=O)c1ccccc1C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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