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130762-78-6 | 3-Heptanol, 4,5-bis[(2,6-dimethylphenyl)imino]-
CAS No: 130762-78-6 Catalog No: AG000UXI MDL No:
Product Description
Catalog Number:
AG000UXI
Chemical Name:
3-Heptanol, 4,5-bis[(2,6-dimethylphenyl)imino]-
CAS Number:
130762-78-6
Molecular Formula:
C23H30N2O
Molecular Weight:
350.4971
IUPAC Name:
4,5-bis[(2,6-dimethylphenyl)imino]heptan-3-ol
InChI:
InChI=1S/C23H30N2O/c1-7-19(24-21-15(3)11-9-12-16(21)4)23(20(26)8-2)25-22-17(5)13-10-14-18(22)6/h9-14,20,26H,7-8H2,1-6H3
InChI Key:
BYTZGPSBUMWFDS-UHFFFAOYSA-N
SMILES:
CCC(C(=Nc1c(C)cccc1C)C(=Nc1c(C)cccc1C)CC)O
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.236g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.506g/mol
Monoisotopic Mass:
350.236g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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