Home Aminos 3-(benzylamino)-5,5-dimethyl-cyclohex-2-en-1-one

3-(benzylamino)-5,5-dimethyl-cyclohex-2-en-1-one

CAS No.:
889-31-6
Catalog Number:
AG00480O
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$82
- +
5g
98%
1 week
United States
$263
- +
Product Description
Catalog Number:
AG00480O
Chemical Name:
3-(benzylamino)-5,5-dimethyl-cyclohex-2-en-1-one
CAS Number:
889-31-6
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
MDL Number:
MFCD08544188
IUPAC Name:
3-(benzylamino)-5,5-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C15H19NO/c1-15(2)9-13(8-14(17)10-15)16-11-12-6-4-3-5-7-12/h3-8,16H,9-11H2,1-2H3
InChI Key:
CCAHMSNAFCNUPX-UHFFFAOYSA-N
SMILES:
O=C1C=C(NCc2ccccc2)CC(C1)(C)C
NSC Number:
149319
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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
Properties