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10050-86-9 | Benzeneacetonitrile, α-[[4-(dimethylamino)phenyl]imino]-
CAS No: 10050-86-9 Catalog No: AG00026E MDL No:
Product Description
Catalog Number:
AG00026E
Chemical Name:
Benzeneacetonitrile, α-[[4-(dimethylamino)phenyl]imino]-
CAS Number:
10050-86-9
Molecular Formula:
C16H15N3
Molecular Weight:
249.3104
IUPAC Name:
N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide
InChI:
InChI=1S/C16H15N3/c1-19(2)15-10-8-14(9-11-15)18-16(12-17)13-6-4-3-5-7-13/h3-11H,1-2H3
InChI Key:
CGIGSJWVCYXZFH-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)N=C(c1ccccc1)C#N)C
NSC Number:
126363
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.317g/mol
Monoisotopic Mass:
249.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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