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1202-52-4 | Benzenepropanaminium, N,N,N-trimethyl-, bromide (1:1)
CAS No: 1202-52-4 Catalog No: AG000QJZ MDL No:
Product Description
Catalog Number:
AG000QJZ
Chemical Name:
Benzenepropanaminium, N,N,N-trimethyl-, bromide (1:1)
CAS Number:
1202-52-4
Molecular Formula:
C12H20BrN
Molecular Weight:
258.1979
IUPAC Name:
trimethyl(3-phenylpropyl)azanium;bromide
InChI:
InChI=1S/C12H20N.BrH/c1-13(2,3)11-7-10-12-8-5-4-6-9-12;/h4-6,8-9H,7,10-11H2,1-3H3;1H/q+1;/p-1
InChI Key:
QPCOYQJCKJHNRH-UHFFFAOYSA-M
SMILES:
C[N+](CCCc1ccccc1)(C)C.[Br-]
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.203g/mol
Monoisotopic Mass:
257.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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