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1756-37-2 | Benzeneacetonitrile, 4-chloro-α-[1-[4-[2-(diethylamino)ethoxy]phenyl]propylidene]-, hydrochloride (1:1)
CAS No: 1756-37-2 Catalog No: AG00212Z MDL No:
Product Description
Catalog Number:
AG00212Z
Chemical Name:
Benzeneacetonitrile, 4-chloro-α-[1-[4-[2-(diethylamino)ethoxy]phenyl]propylidene]-, hydrochloride (1:1)
CAS Number:
1756-37-2
Molecular Formula:
C23H28Cl2N2O
Molecular Weight:
419.3872
IUPAC Name:
2-(4-chlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]pent-2-enenitrile
InChI:
InChI=1S/C23H27ClN2O/c1-4-22(23(17-25)19-7-11-20(24)12-8-19)18-9-13-21(14-10-18)27-16-15-26(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3
InChI Key:
JDZVHLCGXYUXLP-UHFFFAOYSA-N
SMILES:
CCC(=C(c1ccc(cc1)Cl)C#N)c1ccc(cc1)OCCN(CC)CC.Cl
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.181g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.932g/mol
Monoisotopic Mass:
382.181g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.1
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