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113612-26-3 | Benzenemethanaminium, N,N-dimethyl-N-octyl-, iodide (1:1)
CAS No: 113612-26-3 Catalog No: AG00094N MDL No:
Product Description
Catalog Number:
AG00094N
Chemical Name:
Benzenemethanaminium, N,N-dimethyl-N-octyl-, iodide (1:1)
CAS Number:
113612-26-3
Molecular Formula:
C17H30IN
Molecular Weight:
375.3313
IUPAC Name:
benzyl-dimethyl-octylazanium;iodide
InChI:
InChI=1S/C17H30N.HI/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1
InChI Key:
FWSPPOGTXISTGF-UHFFFAOYSA-M
SMILES:
CCCCCCCC[N+](Cc1ccccc1)(C)C.[I-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.338g/mol
Monoisotopic Mass:
375.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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