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113791-18-7 | 2-Azetidinone, 3-(diethylamino)-1-methyl-4-phenyl-, trans- (9CI)
CAS No: 113791-18-7 Catalog No: AG0009OU MDL No:
Product Description
Catalog Number:
AG0009OU
Chemical Name:
2-Azetidinone, 3-(diethylamino)-1-methyl-4-phenyl-, trans- (9CI)
CAS Number:
113791-18-7
Molecular Formula:
C14H20N2O
Molecular Weight:
232.3214
IUPAC Name:
(3S,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one
InChI:
InChI=1S/C14H20N2O/c1-4-16(5-2)13-12(15(3)14(13)17)11-9-7-6-8-10-11/h6-10,12-13H,4-5H2,1-3H3/t12-,13-/m0/s1
InChI Key:
KXXGDFDCNAYKFX-STQMWFEESA-N
SMILES:
CCN([C@@H]1C(=O)N([C@H]1c1ccccc1)C)CC
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
232.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.327g/mol
Monoisotopic Mass:
232.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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