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14007-49-9 | Benzenepropanaminium, γ-(aminocarbonyl)-N-ethyl-N,N-dimethyl-γ-phenyl-
CAS No: 14007-49-9 Catalog No: AG001BZA MDL No:
Product Description
Catalog Number:
AG001BZA
Chemical Name:
Benzenepropanaminium, γ-(aminocarbonyl)-N-ethyl-N,N-dimethyl-γ-phenyl-
CAS Number:
14007-49-9
Molecular Formula:
C20H27N2O+
Molecular Weight:
311.4412
IUPAC Name:
(4-amino-4-oxo-3,3-diphenylbutyl)-ethyl-dimethylazanium
InChI:
InChI=1S/C20H26N2O/c1-4-22(2,3)16-15-20(19(21)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3,(H-,21,23)/p+1
InChI Key:
KFZMXOLSYABOSE-UHFFFAOYSA-O
SMILES:
CC[N+](CCC(c1ccccc1)(c1ccccc1)C(=O)N)(C)C
UNII:
4O677EQ77U
NSC Number:
9549
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.212g/mol
Formal Charge:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.449g/mol
Monoisotopic Mass:
311.212g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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