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16652-03-2 | Benzenemethanaminium, N,N,N-triethyl-
CAS No: 16652-03-2 Catalog No: AG001WSC MDL No:
Product Description
Catalog Number:
AG001WSC
Chemical Name:
Benzenemethanaminium, N,N,N-triethyl-
CAS Number:
16652-03-2
Molecular Formula:
C13H22N+
Molecular Weight:
192.3205
IUPAC Name:
benzyl(triethyl)azanium
InChI:
InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1
InChI Key:
VBQDSLGFSUGBBE-UHFFFAOYSA-N
SMILES:
CC[N+](Cc1ccccc1)(CC)CC
UNII:
QS1AQC1A39
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.175g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.326g/mol
Monoisotopic Mass:
192.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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