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27742-95-6 | Benzenemethanaminium, N,N,N,2,4,5-hexamethyl-, bromide (9CI)
CAS No: 27742-95-6 Catalog No: AG002UNH MDL No:
Product Description
Catalog Number:
AG002UNH
Chemical Name:
Benzenemethanaminium, N,N,N,2,4,5-hexamethyl-, bromide (9CI)
CAS Number:
27742-95-6
Molecular Formula:
C13H22BrN
Molecular Weight:
272.2245
IUPAC Name:
trimethyl-[(2,4,5-trimethylphenyl)methyl]azanium;bromide
InChI:
InChI=1S/C13H22N.BrH/c1-10-7-12(3)13(8-11(10)2)9-14(4,5)6;/h7-8H,9H2,1-6H3;1H/q+1;/p-1
InChI Key:
JYBOSHDAHGXPKZ-UHFFFAOYSA-M
SMILES:
Cc1cc(C)c(cc1C[N+](C)(C)C)C.[Br-]
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.23g/mol
Monoisotopic Mass:
271.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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