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Home > Imidazoles > 198471-95-3
198471-95-3 | tert-butyl N-[(2S)-1-hydroxy-3-(1H-imidazol-4-yl)propan-2-yl]carbamate
CAS No: 198471-95-3 Catalog No: AG01C0H2 MDL No:MFCD00270269
Product Description
Catalog Number:
AG01C0H2
Chemical Name:
tert-butyl N-[(2S)-1-hydroxy-3-(1H-imidazol-4-yl)propan-2-yl]carbamate
CAS Number:
198471-95-3
Molecular Formula:
C11H19N3O3
Molecular Weight:
241.2869
MDL Number:
MFCD00270269
IUPAC Name:
tert-butyl N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]carbamate
InChI:
InChI=1S/C11H19N3O3/c1-11(2,3)17-10(16)14-9(6-15)4-8-5-12-7-13-8/h5,7,9,15H,4,6H2,1-3H3,(H,12,13)(H,14,16)
InChI Key:
GUCQAQRQOPBPDH-UHFFFAOYSA-N
SMILES:
OC[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.143g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.291g/mol
Monoisotopic Mass:
241.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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