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116430-24-1 | 2-Pyridinamine, 4-(1-butylpentyl)-N-[4-(1-butylpentyl)-2-pyridinyl]-
CAS No: 116430-24-1 Catalog No: AG000CH6 MDL No:
Product Description
Catalog Number:
AG000CH6
Chemical Name:
2-Pyridinamine, 4-(1-butylpentyl)-N-[4-(1-butylpentyl)-2-pyridinyl]-
CAS Number:
116430-24-1
Molecular Formula:
C28H45N3
Molecular Weight:
423.6770
IUPAC Name:
4-nonan-5-yl-N-(4-nonan-5-ylpyridin-2-yl)pyridin-2-amine
InChI:
InChI=1S/C28H45N3/c1-5-9-13-23(14-10-6-2)25-17-19-29-27(21-25)31-28-22-26(18-20-30-28)24(15-11-7-3)16-12-8-4/h17-24H,5-16H2,1-4H3,(H,29,30,31)
InChI Key:
XSXWWRQBSLMYEP-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccnc(c1)Nc1nccc(c1)C(CCCC)CCCC)CCCC
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.361g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.689g/mol
Monoisotopic Mass:
423.361g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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