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119838-38-9 | 1-Imidazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-3-methyl-4-oxo-, 1,1-dimethylethyl ester, (2S)-
CAS No: 119838-38-9 Catalog No: AG000PRD MDL No:MFCD00075101
Product Description
Catalog Number:
AG000PRD
Chemical Name:
1-Imidazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-3-methyl-4-oxo-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
119838-38-9
Molecular Formula:
C13H24N2O3
Molecular Weight:
256.3413
MDL Number:
MFCD00075101
IUPAC Name:
tert-butyl (2S)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
InChI:
InChI=1S/C13H24N2O3/c1-12(2,3)10-14(7)9(16)8-15(10)11(17)18-13(4,5)6/h10H,8H2,1-7H3/t10-/m0/s1
InChI Key:
HJJLVATZPPJBNG-JTQLQIEISA-N
SMILES:
O=C(N1CC(=O)N([C@@H]1C(C)(C)C)C)OC(C)(C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
256.179g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.346g/mol
Monoisotopic Mass:
256.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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