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114174-41-3 | Guanidine, N,N-dioctyl-, acetate (1:1)
CAS No: 114174-41-3 Catalog No: AG000APU MDL No:
Product Description
Catalog Number:
AG000APU
Chemical Name:
Guanidine, N,N-dioctyl-, acetate (1:1)
CAS Number:
114174-41-3
Molecular Formula:
C19H41N3O2
Molecular Weight:
343.5477
IUPAC Name:
acetic acid;1,1-dioctylguanidine
InChI:
InChI=1S/C17H37N3.C2H4O2/c1-3-5-7-9-11-13-15-20(17(18)19)16-14-12-10-8-6-4-2;1-2(3)4/h3-16H2,1-2H3,(H3,18,19);1H3,(H,3,4)
InChI Key:
HXZKZDGKAYBNNC-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCCCCN(C(=N)N)CCCCCCCC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.32g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.556g/mol
Monoisotopic Mass:
343.32g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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