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83846-89-3 | Benzylphenethylammonium acetate
CAS No: 83846-89-3 Catalog No: AG0054T8 MDL No:
Product Description
Catalog Number:
AG0054T8
Chemical Name:
Benzylphenethylammonium acetate
CAS Number:
83846-89-3
Molecular Formula:
C17H21NO2
Molecular Weight:
271.3541
IUPAC Name:
benzyl(2-phenylethyl)azanium;acetate
InChI:
InChI=1S/C15H17N.C2H4O2/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;1-2(3)4/h1-10,16H,11-13H2;1H3,(H,3,4)
InChI Key:
WKBWPPFAWKAKOI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C[NH2+]CCc1ccccc1.[O-]C(=O)C
EC Number:
281-069-6
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.36g/mol
Monoisotopic Mass:
271.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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