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15917-65-4 | Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N-methyl-, hydrochloride (1:1)
CAS No: 15917-65-4 Catalog No: AG001QJI MDL No:
Product Description
Catalog Number:
AG001QJI
Chemical Name:
Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N-methyl-, hydrochloride (1:1)
CAS Number:
15917-65-4
Molecular Formula:
C25H28ClNO
Molecular Weight:
393.9489
IUPAC Name:
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine;hydrochloride
InChI:
InChI=1S/C25H27NO.ClH/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2;/h4-17,26H,3,18-19H2,1-2H3;1H/b25-24-;
InChI Key:
GMLHJWZEYLTNJW-BJFQDICYSA-N
SMILES:
CNCCOc1ccc(cc1)/C(=C(\c1ccccc1)/CC)/c1ccccc1.Cl
NSC Number:
372964
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
393.186g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.955g/mol
Monoisotopic Mass:
393.186g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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