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102009-89-2 | Benzenepropanamine, 2-methoxy-N-(3-phenyl-2-propen-1-yl)-, hydrochloride (1:1)
CAS No: 102009-89-2 Catalog No: AG0006BG MDL No:
Product Description
Catalog Number:
AG0006BG
Chemical Name:
Benzenepropanamine, 2-methoxy-N-(3-phenyl-2-propen-1-yl)-, hydrochloride (1:1)
CAS Number:
102009-89-2
Molecular Formula:
C19H24ClNO
Molecular Weight:
317.8530
IUPAC Name:
3-(2-methoxyphenyl)propyl-(3-phenylprop-2-enyl)azanium;chloride
InChI:
InChI=1S/C19H23NO.ClH/c1-21-19-14-6-5-12-18(19)13-8-16-20-15-7-11-17-9-3-2-4-10-17;/h2-7,9-12,14,20H,8,13,15-16H2,1H3;1H
InChI Key:
YYESCPKFLSMESI-UHFFFAOYSA-N
SMILES:
COc1ccccc1CCCNCC=Cc1ccccc1.Cl
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.155g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.857g/mol
Monoisotopic Mass:
317.155g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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