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Home Nitros N-(4-nitrobenzyl)-1-adamantanamine hydrobromide

N-(4-nitrobenzyl)-1-adamantanamine hydrobromide

CAS No.:
1609408-96-9
Catalog Number:
AG00J3NX
Molecular Formula:
C17H23BrN2O2
Molecular Weight:
367.2807
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
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Product Description
Catalog Number:
AG00J3NX
Chemical Name:
N-(4-nitrobenzyl)-1-adamantanamine hydrobromide
CAS Number:
1609408-96-9
Molecular Formula:
C17H23BrN2O2
Molecular Weight:
367.2807
MDL Number:
MFCD13186447
IUPAC Name:
N-[(4-nitrophenyl)methyl]adamantan-1-amine;hydrobromide
InChI:
InChI=1S/C17H22N2O2.BrH/c20-19(21)16-3-1-12(2-4-16)11-18-17-8-13-5-14(9-17)7-15(6-13)10-17;/h1-4,13-15,18H,5-11H2;1H
InChI Key:
CBNXMHGBRQKENW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CNC12CC3CC(C2)CC(C1)C3.Br
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.094g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
367.287g/mol
Monoisotopic Mass:
366.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties