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Home > Imidazoles > 119906-49-9
119906-49-9 | (S)-1-Z-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE
CAS No: 119906-49-9 Catalog No: AG008T6E MDL No:MFCD00075098
Product Description
Catalog Number:
AG008T6E
Chemical Name:
(S)-1-Z-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE
CAS Number:
119906-49-9
Molecular Formula:
C16H22N2O3
Molecular Weight:
290.3575
MDL Number:
MFCD00075098
IUPAC Name:
benzyl (2S)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
InChI:
InChI=1S/C16H22N2O3/c1-16(2,3)14-17(4)13(19)10-18(14)15(20)21-11-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3/t14-/m0/s1
InChI Key:
TZEQABAXFGVJED-AWEZNQCLSA-N
SMILES:
O=C(N1CC(=O)N([C@@H]1C(C)(C)C)C)OCc1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.363g/mol
Monoisotopic Mass:
290.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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