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10155-17-6 | Propanenitrile, 3-[(1-methylethyl)phenylamino]-
CAS No: 10155-17-6 Catalog No: AG0004S3 MDL No:
Product Description
Catalog Number:
AG0004S3
Chemical Name:
Propanenitrile, 3-[(1-methylethyl)phenylamino]-
CAS Number:
10155-17-6
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
IUPAC Name:
3-(N-propan-2-ylanilino)propanenitrile
InChI:
InChI=1S/C12H16N2/c1-11(2)14(10-6-9-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,10H2,1-2H3
InChI Key:
TZDBPMHFGDTQND-UHFFFAOYSA-N
SMILES:
CC(N(c1ccccc1)CCC#N)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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