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83918-73-4 | 1-Benzhydrylpiperazinium acetate
CAS No: 83918-73-4 Catalog No: AG004V8K MDL No:
Product Description
Catalog Number:
AG004V8K
Chemical Name:
1-Benzhydrylpiperazinium acetate
CAS Number:
83918-73-4
Molecular Formula:
C19H24N2O2
Molecular Weight:
312.4061
IUPAC Name:
1-benzhydrylpiperazin-1-ium;acetate
InChI:
InChI=1S/C17H20N2.C2H4O2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;1-2(3)4/h1-10,17-18H,11-14H2;1H3,(H,3,4)
InChI Key:
JSZJPSGMTDIWMN-UHFFFAOYSA-N
SMILES:
N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1.[O-]C(=O)C
EC Number:
281-308-4
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.184g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.413g/mol
Monoisotopic Mass:
312.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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