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73680-66-7 | BENZYLTRIETHYLAMMONIUM CYANOACETATE
CAS No: 73680-66-7 Catalog No: AG005BZ6 MDL No:
Product Description
Catalog Number:
AG005BZ6
Chemical Name:
BENZYLTRIETHYLAMMONIUM CYANOACETATE
CAS Number:
73680-66-7
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
IUPAC Name:
benzyl(triethyl)azanium;2-cyanoacetate
InChI:
InChI=1S/C13H22N.C3H3NO2/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;4-2-1-3(5)6/h7-11H,4-6,12H2,1-3H3;1H2,(H,5,6)/q+1;/p-1
InChI Key:
KAVSGWYQMWQAKM-UHFFFAOYSA-M
SMILES:
CC[N+](Cc1ccccc1)(CC)CC.N#CCC(=O)[O-]
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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