guanidine;methyl acetate;triphenylphosphane

C22H26N3O2P — CID 174540505

IUPACguanidine;methyl acetate;triphenylphosphane
SMILESCOC(C)=O.[H]N=C(N)N.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C3H6O2.CH5N3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3(4)5-2;2-1(3)4/h1-15H;1-2H3;(H5,2,3,4)
InChIKeyANGJPPJRPKFWHN-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.46
Rot. Bonds3

About guanidine;methyl acetate;triphenylphosphane

guanidine;methyl acetate;triphenylphosphane (PubChem CID 174540505) has the molecular formula C22H26N3O2P and a molecular weight of 395.44 g/mol. Its IUPAC name is guanidine;methyl acetate;triphenylphosphane.

Molecular Properties

Compound Nameguanidine;methyl acetate;triphenylphosphane
PubChem CID174540505
Molecular FormulaC22H26N3O2P
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Nameguanidine;methyl acetate;triphenylphosphane
SMILESCOC(C)=O.[H]N=C(N)N.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C3H6O2.CH5N3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3(4)5-2;2-1(3)4/h1-15H;1-2H3;(H5,2,3,4)
InChIKeyANGJPPJRPKFWHN-UHFFFAOYSA-N
XLogP2.46
TPSA102.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of guanidine;methyl acetate;triphenylphosphane?
The IUPAC name of guanidine;methyl acetate;triphenylphosphane (CID 174540505) is guanidine;methyl acetate;triphenylphosphane.
What is the SMILES notation for guanidine;methyl acetate;triphenylphosphane?
The canonical SMILES for guanidine;methyl acetate;triphenylphosphane is COC(C)=O.[H]N=C(N)N.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of guanidine;methyl acetate;triphenylphosphane?
The InChIKey is ANGJPPJRPKFWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C3H6O2.CH5N3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3(4)5-2;2-1(3)4/h1-15H;1-2H3;(H5,2,3,4).
What are the key properties of guanidine;methyl acetate;triphenylphosphane?
guanidine;methyl acetate;triphenylphosphane has a molecular weight of 395.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;methyl acetate;triphenylphosphane is sourced from PubChem (CID 174540505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).