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1976-21-2 | Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, iodide (1:1)
CAS No: 1976-21-2 Catalog No: AG002AXH MDL No:
Product Description
Catalog Number:
AG002AXH
Chemical Name:
Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, iodide (1:1)
CAS Number:
1976-21-2
Molecular Formula:
C11H17BrIN
Molecular Weight:
370.0679
IUPAC Name:
(2-bromophenyl)methyl-ethyl-dimethylazanium;iodide
InChI:
InChI=1S/C11H17BrN.HI/c1-4-13(2,3)9-10-7-5-6-8-11(10)12;/h5-8H,4,9H2,1-3H3;1H/q+1;/p-1
InChI Key:
KFPUIXFLGYGWNG-UHFFFAOYSA-M
SMILES:
CC[N+](Cc1ccccc1Br)(C)C.[I-]
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.959g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.072g/mol
Monoisotopic Mass:
368.959g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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