Compound: 3030-47-5
SMILES: N(CCN(C)C)(CCN(C)C)C
InChIKey: UKODFQOELJFMII-UHFFFAOYSA-N
Synonyms: 3030-47-5, 1,1,4,7,7-Pentamethyldiethylenetriamine, Pentamethyldiethylenetriamine, PMDETA, Pentamethyldiethylenetriaminek, pmdien, Bis(2-dimethylaminoethyl)(methyl)amine, 2,5,8-Trimethyl-2,5,8-triazanonane, N,N',N''-Pentamethyldiethylenetriamine, N,N,N',N',N''-Pentamethyldiethylenetriamine, NSC 65659, Diethylenetriamine, 1,1,4,7,7-pentamethyl-, EINECS 221-201-1, BRN 1741396, 3274UTY3HL, DTXSID7029249, 1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-, NSC-65659, DTXCID109249, N,N,N',N',N"-Pentamethyldiethylenetriamine, CHEBI:39475, EC 221-201-1, 1,2-Ethanediamine, N-(2-(dimethylamino)ethyl)-N,N',N'-trimethyl-, 1,2-Ethanediamine, N1-(2-(dimethylamino)ethyl)-N1,N2,N2-trimethyl-, 2,2'-(methylazanediyl)bis(N,N-dimethylethanamine), N-(2-(dimethylamino)ethyl)-N,N',N'-trimethyl-1,2-ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethylethane-1,2-diamine, N-[2-(Dimethylamino)ethyl]-N,N',N'-trimethyl-1,2-ethanediamine, 1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl-, N-(2-(dimethylamino)ethyl)-N,N',N'-trimethylethane-1,2-diamine, Toyocat DT, RefChem:859846, 2,5,8Trimethyl2,5,8triazanonane, NN,N',N'trimethylethane1,2diamine, Bis(2dimethylaminoethyl)(methyl)amine, N,N',N''Pentamethyldiethylenetriamine, 1,1,4,7,7Pentamethyldiethylenetriamine, Diethylenetriamine, 1,1,4,7,7pentamethyl, 1,2Ethanediamine, N(2(dimethylamino)ethyl)N,N',N'trimethyl, 1,2Ethanediamine, N1(2(dimethylamino)ethyl)N1,N2,N2trimethyl, N,N,N',N'',N''-Pentamethyldiethylenetriamine, PMDT, N1-(2-(Dimethylamino)ethyl)-N1,N2,N2-trimethylethane-1,2-diamine, PMDTA, n,n,n,n,n-pentamethyldiethylenetriamine, MFCD00014876, N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine, (2-{[2-(dimethylamino)ethyl](methyl)amino}ethyl)dimethylamine, UNII-3274UTY3HL, pentamethyldiethyenetriamine, pentamethyl diethylentriamine, pentamethyl-diethylentriamine, pentamethyl diethylenetriamine, pentamethyldiethylene-triamine, SCHEMBL37515, pentamethyl diethylene triamine, SCHEMBL9388372, CHEMBL3183641, UKODFQOELJFMII-UHFFFAOYSA-, N,N''-Pentamethyldiethylenetriamine, N-(2-dimethylaminoethyl)-N,N',N'-trimethylethane-1,2-diamine, NSC65659, Tox21_200681, Bis-(2-dimethylaminoethyl)methylamine, AKOS015915357, 1,4,7,7-Pentamethyldiethylenetriamine, WLN: 1N1&2N1&2N1&1, 1,1,4,7,7-pentamethyldiethlenetriamine, NCGC00248795-01, NCGC00258235-01, 1,1,4,7,7-pentamethyldiethlene triamine, Diethylenetriamine,1,4,7,7-pentamethyl-, LS-13731, CAS-3030-47-5, N,N',N',N''-Pentamethyldiethylenetriamine, CS-0077160, NS00004531, P0881, N,N',N'',N''-pentamethyldiethylene triamine, N,N,N',N',N''-Pentamethyidiethylenetriamine, D78228, EN300-175590, N,N,N', N'',N''-pentamethyldiethylenetriamine, N,N,N',N'',N''-pentamethyldiethylene triamine, F233359, Q965311, 1, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-, N,N,N',N'',N''-Pentamethyldiethylenetriamine, 99%, ethane, 1-dimethylamino-2-(2-dimethylamino)ethylmethylamino-, N'-(2-dimethylaminoethyl)-N,N,N'-trimethyl-ethane-1,2-diamine, N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-ethane-1,2-diamine, N-(2-dimethylamino-ethyl)-N,N',N'-trimethyl-ethane-1,2-diamine, N-(2-dimethylaminoethyl)-N,N',N'-trimethyl-ethane-1,2-diamine, N1-(2-(dimethylamino)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine, Pentamethyldiethylenetriamine N,N,N`,N`,N``-Pentamethyldiethylenetriamine, InChI=1/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3, N~1~-[2-(Dimethylamino)ethyl]-N~1~,N~2~,N~2~-trimethylethane-1,2-diamine
Theoretical properties:
molecular_formula: C9H23N3
molecular_weight: 173.30 g/mol
exact_mass: 173.189197746 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 6
heavy_atom_count: 12
topological_polar_surface_area: 9.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
vapor_pressure: 0.3 [mmHg]
Descriptions:
pubchem: Pentamethyldiethylenetriamine is a polyazaalkane. It is functionally related to a diethylenetriamine.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: A tridentate ligand (or terdentate ligand) is a ligand that has three atoms that can function as donor atoms in a coordination complex.
Well-known tridentate ligands include diethylenetriamine with three nitrogen donor atoms, and the iminodiacetate anion which consists of one deprotonated amine nitrogen and a pair of carboxylate groups.
An octahedrally coordinated atom has six positions around it. Two tridentate ligands may form a complex with such an atom. There are two possible arrangements for such a complex: fac where the coordination is in a triangle on one face of the octahedron, and mer where the coordinating atoms are in an arc around the central atom, with two atoms of the ligand opposite each other. Fac tridentate ligands are termed scorpionate ligands, especially in reference to polypyrazolylborates.
If the tridentate ligand is not symmetrical, then in the fac complexes in octahedral coordination there are three possible isomers. In the mer complexes there are two enantiomers, mirror images of each other.