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2087-38-9 | Benzeneacetonitrile, 4-[2-(diethylamino)ethoxy]-α-(2-naphthalenylmethylene)-, monohydrochloride (9CI)
CAS No: 2087-38-9 Catalog No: AG002JUX MDL No:
Product Description
Catalog Number:
AG002JUX
Chemical Name:
Benzeneacetonitrile, 4-[2-(diethylamino)ethoxy]-α-(2-naphthalenylmethylene)-, monohydrochloride (9CI)
CAS Number:
2087-38-9
Molecular Formula:
C25H27ClN2O
Molecular Weight:
406.9477
IUPAC Name:
(E)-2-[4-[2-(diethylamino)ethoxy]phenyl]-3-naphthalen-2-ylprop-2-enenitrile
InChI:
InChI=1S/C25H26N2O/c1-3-27(4-2)15-16-28-25-13-11-22(12-14-25)24(19-26)18-20-9-10-21-7-5-6-8-23(21)17-20/h5-14,17-18H,3-4,15-16H2,1-2H3/b24-18-
InChI Key:
PPMYGIZJPMLHFP-MOHJPFBDSA-N
SMILES:
CCN(CCOc1ccc(cc1)C(=Cc1ccc2c(c1)cccc2)C#N)CC.Cl
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
370.205g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.496g/mol
Monoisotopic Mass:
370.205g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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