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827037-96-7 | 2-Propenal, 3-(1,3-diethyl-2,3-dihydro-2,2-dimethyl-1H-perimidin-6-yl)-
CAS No: 827037-96-7 Catalog No: AG004VWT MDL No:
Product Description
Catalog Number:
AG004VWT
Chemical Name:
2-Propenal, 3-(1,3-diethyl-2,3-dihydro-2,2-dimethyl-1H-perimidin-6-yl)-
CAS Number:
827037-96-7
Molecular Formula:
C20H24N2O
Molecular Weight:
308.4174
IUPAC Name:
3-(1,3-diethyl-2,2-dimethylperimidin-6-yl)prop-2-enal
InChI:
InChI=1S/C20H24N2O/c1-5-21-17-11-7-10-16-15(9-8-14-23)12-13-18(19(16)17)22(6-2)20(21,3)4/h7-14H,5-6H2,1-4H3
InChI Key:
BVMBGSPUVZPIDL-UHFFFAOYSA-N
SMILES:
O=CC=Cc1ccc2c3c1cccc3N(C(N2CC)(C)C)CC
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.425g/mol
Monoisotopic Mass:
308.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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