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16564-41-3 | Benzenepropanaminium, γ-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-γ-phenyl-, bromide (1:1)
CAS No: 16564-41-3 Catalog No: AG001WA2 MDL No:
Product Description
Catalog Number:
AG001WA2
Chemical Name:
Benzenepropanaminium, γ-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-γ-phenyl-, bromide (1:1)
CAS Number:
16564-41-3
Molecular Formula:
C23H33BrN2O
Molecular Weight:
433.4249
IUPAC Name:
(4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium;bromide
InChI:
InChI=1S/C23H32N2O.BrH/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H
InChI Key:
UHDXPMNTVNTHJT-UHFFFAOYSA-N
SMILES:
CC([N+](C(C)C)(CCC(c1ccccc1)(c1ccccc1)C(=O)N)C)C.[Br-]
UNII:
4Z84BE98DY
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.178g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.434g/mol
Monoisotopic Mass:
432.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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