Home Other Building Blocks 1-[3-(propan-2-yl)phenyl]-1,3-diazinan-2-one

1-[3-(propan-2-yl)phenyl]-1,3-diazinan-2-one

CAS No.:
1552497-45-6
Catalog Number:
AG01BFFJ
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
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Product Description
Catalog Number:
AG01BFFJ
Chemical Name:
1-[3-(propan-2-yl)phenyl]-1,3-diazinan-2-one
CAS Number:
1552497-45-6
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD24190278
IUPAC Name:
1-(3-propan-2-ylphenyl)-1,3-diazinan-2-one
InChI:
InChI=1S/C13H18N2O/c1-10(2)11-5-3-6-12(9-11)15-8-4-7-14-13(15)16/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,14,16)
InChI Key:
RXEZRWWUXGABDK-UHFFFAOYSA-N
SMILES:
O=C1NCCCN1c1cccc(c1)C(C)C
Properties
Complexity:
252  
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:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties