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Home > Imidazoles > 1394040-99-3
1394040-99-3 | benzyl N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]carbamate
CAS No: 1394040-99-3 Catalog No: AG019ZMR MDL No:MFCD22375251
Product Description
Catalog Number:
AG019ZMR
Chemical Name:
benzyl N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]carbamate
CAS Number:
1394040-99-3
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
MDL Number:
MFCD22375251
IUPAC Name:
benzyl N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]carbamate
InChI:
InChI=1S/C14H17N3O2/c1-10-11(2)17-13(16-10)8-15-14(18)19-9-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChI Key:
MUCJXSQZNVQJAK-UHFFFAOYSA-N
SMILES:
O=C(NCc1[nH]c(c(n1)C)C)OCc1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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