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1003708-27-7 | Benzonitrile, 4-amino-2,6-diethyl-
CAS No: 1003708-27-7 Catalog No: AG0001R5 MDL No:MFCD08144071
Product Description
Catalog Number:
AG0001R5
Chemical Name:
Benzonitrile, 4-amino-2,6-diethyl-
CAS Number:
1003708-27-7
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD08144071
IUPAC Name:
4-amino-2,6-diethylbenzonitrile
InChI:
InChI=1S/C11H14N2/c1-3-8-5-10(13)6-9(4-2)11(8)7-12/h5-6H,3-4,13H2,1-2H3
InChI Key:
MEBZCJQSHLJQPC-UHFFFAOYSA-N
SMILES:
CCc1cc(N)cc(c1C#N)CC
Properties
Complexity:
189
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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