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1799421-06-9 | Benzonitrile, 3-amino-2,6-diethyl-
CAS No: 1799421-06-9 Catalog No: AG0021HQ MDL No:
Product Description
Catalog Number:
AG0021HQ
Chemical Name:
Benzonitrile, 3-amino-2,6-diethyl-
CAS Number:
1799421-06-9
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
IUPAC Name:
3-amino-2,6-diethylbenzonitrile
InChI:
InChI=1S/C11H14N2/c1-3-8-5-6-11(13)9(4-2)10(8)7-12/h5-6H,3-4,13H2,1-2H3
InChI Key:
JEFFGMAVJYVXST-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1C#N)CC)N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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