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102571-36-8 | 1-Propanaminium, N-ethyl-N,N-dimethyl-2-(tricyclo[3.3.1.13,7]dec-1-yloxy)-, iodide (1:1)
CAS No: 102571-36-8 Catalog No: AG0007RM MDL No:
Product Description
Catalog Number:
AG0007RM
Chemical Name:
1-Propanaminium, N-ethyl-N,N-dimethyl-2-(tricyclo[3.3.1.13,7]dec-1-yloxy)-, iodide (1:1)
CAS Number:
102571-36-8
Molecular Formula:
C17H32INO
Molecular Weight:
393.3466
IUPAC Name:
2-(1-adamantyloxy)propyl-ethyl-dimethylazanium;iodide
InChI:
InChI=1S/C17H32NO.HI/c1-5-18(3,4)12-13(2)19-17-9-14-6-15(10-17)8-16(7-14)11-17;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1
InChI Key:
DAEWYFHVVJQUMX-UHFFFAOYSA-M
SMILES:
CC[N+](CC(OC12CC3CC(C2)CC(C1)C3)C)(C)C.[I-]
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.353g/mol
Monoisotopic Mass:
393.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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