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197507-52-1 | Benzonitrile, 2-(diethylamino)-
CAS No: 197507-52-1 Catalog No: AG002AV2 MDL No:MFCD11155678
Product Description
Catalog Number:
AG002AV2
Chemical Name:
Benzonitrile, 2-(diethylamino)-
CAS Number:
197507-52-1
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD11155678
IUPAC Name:
2-(diethylamino)benzonitrile
InChI:
InChI=1S/C11H14N2/c1-3-13(4-2)11-8-6-5-7-10(11)9-12/h5-8H,3-4H2,1-2H3
InChI Key:
YWJQYHVWROTJNW-UHFFFAOYSA-N
SMILES:
CCN(c1ccccc1C#N)CC
Properties
Complexity:
188
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:
0
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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