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102422-37-7 | N-(2-phenylethyl)-1H-imidazole-1-carboxamide
CAS No: 102422-37-7 Catalog No: AG019MWR MDL No:MFCD11099569
Product Description
Catalog Number:
AG019MWR
Chemical Name:
N-(2-phenylethyl)-1H-imidazole-1-carboxamide
CAS Number:
102422-37-7
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD11099569
IUPAC Name:
N-(2-phenylethyl)imidazole-1-carboxamide
InChI:
InChI=1S/C12H13N3O/c16-12(15-9-8-13-10-15)14-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,14,16)
InChI Key:
JSTAJYFVLYZJTP-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)NCCc1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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