N,N',N''-Tris(1-methylethyl)guanidine - CAS 121948-77-4
Catalog: |
BB057068 |
Product Name: |
N,N',N''-Tris(1-methylethyl)guanidine |
CAS: |
121948-77-4 |
Synonyms: |
1,2,3-Tri(propan-2-yl)guanidine; 1,2,3-Triisopropylguanidine; N,N',N''-Triisopropylguanidine |
IUPAC Name: | 1,2,3-tri(propan-2-yl)guanidine |
Description: | N,N',N''-Tris(1-methylethyl)guanidine is a useful intermediate in the synthesis and structural investigation of trialkylguanidinato-supported zirconium complexes. |
Molecular Weight: | 185.31 |
Molecular Formula: | C10H23N3 |
Canonical SMILES: | CC(C)NC(=NC(C)C)NC(C)C |
InChI: | InChI=1S/C10H23N3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3,(H2,11,12,13) |
InChI Key: | ALOOBTJGUXDERE-UHFFFAOYSA-N |
References: | Bazinet, P., et al. Inorg. Chem., 42, 6225 (2003); Foley, S. R., et al. Polyhedron, 21, 619 (2002). |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.189197746 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.189197746 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 36.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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