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7149-39-5 | 2-Piperidinone,5-methyl-5-phenyl-
CAS No: 7149-39-5 Catalog No: AG005HPD MDL No:MFCD00085486
Product Description
Catalog Number:
AG005HPD
Chemical Name:
2-Piperidinone,5-methyl-5-phenyl-
CAS Number:
7149-39-5
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD00085486
IUPAC Name:
5-methyl-5-phenylpiperidin-2-one
InChI:
InChI=1S/C12H15NO/c1-12(8-7-11(14)13-9-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChI Key:
VUKGJPNDNWZTOQ-UHFFFAOYSA-N
SMILES:
O=C1CCC(CN1)(C)c1ccccc1
EC Number:
230-476-7
NSC Number:
72083
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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