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17734-35-9 | Benzenemethanaminium, 4-methoxy-N,N,N-trimethyl-, iodide (1:1)
CAS No: 17734-35-9 Catalog No: AG00259E MDL No:
Product Description
Catalog Number:
AG00259E
Chemical Name:
Benzenemethanaminium, 4-methoxy-N,N,N-trimethyl-, iodide (1:1)
CAS Number:
17734-35-9
Molecular Formula:
C11H18INO
Molecular Weight:
307.1712
IUPAC Name:
(4-methoxyphenyl)methyl-trimethylazanium;iodide
InChI:
InChI=1S/C11H18NO.HI/c1-12(2,3)9-10-5-7-11(13-4)8-6-10;/h5-8H,9H2,1-4H3;1H/q+1;/p-1
InChI Key:
OCWSRZGQVNZGDS-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)C[N+](C)(C)C.[I-]
NSC Number:
176934
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.175g/mol
Monoisotopic Mass:
307.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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