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SN 2

CAS No.:
823218-99-1
Catalog Number:
AG00G3PW
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$243
- +
50mg
99%
1 week
United States
$837
- +
Product Description
Catalog Number:
AG00G3PW
Chemical Name:
SN 2
CAS Number:
823218-99-1
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
MDL Number:
MFCD09266779
IUPAC Name:
5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
InChI:
InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3
InChI Key:
WKLZNTYMDOPBSE-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C1=NOC2C1C1CCC2C1
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.162g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.361g/mol
Monoisotopic Mass:
255.162g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Small molecule activators of TRPML3. Chemistry & biology 20100226
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