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78833-05-3 | 2-Pyridineacetonitrile,a-[2-[bis(1-methylethyl)amino]ethyl]-a-(2-methylpropyl)-
CAS No: 78833-05-3 Catalog No: AG0055AO MDL No:
Product Description
Catalog Number:
AG0055AO
Chemical Name:
2-Pyridineacetonitrile,a-[2-[bis(1-methylethyl)amino]ethyl]-a-(2-methylpropyl)-
CAS Number:
78833-05-3
Molecular Formula:
C19H31N3
Molecular Weight:
301.4695
IUPAC Name:
2-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-2-pyridin-2-ylpentanenitrile
InChI:
InChI=1S/C19H31N3/c1-15(2)13-19(14-20,18-9-7-8-11-21-18)10-12-22(16(3)4)17(5)6/h7-9,11,15-17H,10,12-13H2,1-6H3
InChI Key:
PKPIMMSNMGWNHK-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccn1)(CC(C)C)CCN(C(C)C)C(C)C
EC Number:
278-991-6
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.252g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.478g/mol
Monoisotopic Mass:
301.252g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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