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Home Other Building Blocks 3-Anilino-5,5-dimethyl-2-cyclohexen-1-one

3-Anilino-5,5-dimethyl-2-cyclohexen-1-one

CAS No.:
18940-21-1
Catalog Number:
AG002DNP
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$105
- +
1g
98%
1 week
United States
$170
- +
Product Description
Catalog Number:
AG002DNP
Chemical Name:
3-Anilino-5,5-dimethyl-2-cyclohexen-1-one
CAS Number:
18940-21-1
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
MDL Number:
MFCD00128479
IUPAC Name:
3-anilino-5,5-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C14H17NO/c1-14(2)9-12(8-13(16)10-14)15-11-6-4-3-5-7-11/h3-8,15H,9-10H2,1-2H3
InChI Key:
LIHRRTOWVCDHLR-UHFFFAOYSA-N
SMILES:
O=C1C=C(CC(C1)(C)C)Nc1ccccc1
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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
Properties