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89250-47-5 | Methanimidamide, N'-cyano-N-[4-(1H-imidazol-4-yl)phenyl]-N-methyl-
CAS No: 89250-47-5 Catalog No: AG00430A MDL No:
Product Description
Catalog Number:
AG00430A
Chemical Name:
Methanimidamide, N'-cyano-N-[4-(1H-imidazol-4-yl)phenyl]-N-methyl-
CAS Number:
89250-47-5
Molecular Formula:
C12H11N5
Molecular Weight:
225.2492
IUPAC Name:
N'-cyano-N-[4-(1H-imidazol-5-yl)phenyl]-N-methylmethanimidamide
InChI:
InChI=1S/C12H11N5/c1-17(9-15-7-13)11-4-2-10(3-5-11)12-6-14-8-16-12/h2-6,8-9H,1H3,(H,14,16)
InChI Key:
DAGZNTLJVMMYSF-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)c1nc[nH]c1)C=NC#N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.255g/mol
Monoisotopic Mass:
225.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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