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89410-47-9 | Guanidine, tetradecyl-, ethanedioate (2:1)
CAS No: 89410-47-9 Catalog No: AG00463K MDL No:
Product Description
Catalog Number:
AG00463K
Chemical Name:
Guanidine, tetradecyl-, ethanedioate (2:1)
CAS Number:
89410-47-9
Molecular Formula:
C32H68N6O4
Molecular Weight:
600.9201
IUPAC Name:
oxalic acid;2-tetradecylguanidine
InChI:
InChI=1S/2C15H33N3.C2H2O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;3-1(4)2(5)6/h2*2-14H2,1H3,(H4,16,17,18);(H,3,4)(H,5,6)
InChI Key:
VMAHANNCGFKNSU-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCCCCCCCCCCCCCNC(=N)N.CCCCCCCCCCCCCCNC(=N)N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
600.53g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
600.934g/mol
Monoisotopic Mass:
600.53g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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