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80904-18-3 | Propanenitrile, 3-(dioctylamino)-
CAS No: 80904-18-3 Catalog No: AG005IA9 MDL No:
Product Description
Catalog Number:
AG005IA9
Chemical Name:
Propanenitrile, 3-(dioctylamino)-
CAS Number:
80904-18-3
Molecular Formula:
C19H38N2
Molecular Weight:
294.5184
IUPAC Name:
3-(dioctylamino)propanenitrile
InChI:
InChI=1S/C19H38N2/c1-3-5-7-9-11-13-17-21(19-15-16-20)18-14-12-10-8-6-4-2/h3-15,17-19H2,1-2H3
InChI Key:
SRCVGTJPKQUSNG-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(CCC#N)CCCCCCCC
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.303g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.527g/mol
Monoisotopic Mass:
294.303g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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