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PMDETA
CAS: 3030-47-5 | C9H23N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3030-47-5
Molecular Formula:
C9H23N3
Molecular Weight:
173.304 g/mol
Names and Synonyms:
PMDETA
Synonym
Pmdta
Synonym
1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl-
Synonym
Diethylenetriamine, 1,1,4,7,7-pentamethyl-
Synonym
1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N′,N′-trimethyl-
Synonym
N1-[2-(Dimethylamino)ethyl]-N1,N2,N2-trimethyl-1,2-ethanediamine
Synonym
Pentamethyldiethylenetriamine
Synonym
N,N,N′,N′′,N′′-Pentamethyldiethylenetriamine
Synonym
PMDT
Synonym
1,1,4,7,7-Pentamethyldiethylenetriamine
Synonym
N,N,N′,N′,N′′-Pentamethylbis(2-aminoethyl)amine
Synonym
PMDTA
Synonym
Bis[2-(dimethylamino)ethyl]methylamine
Synonym
N,N-Bis[2-(dimethylamino)ethyl]methylamine
Synonym
2,5,8-Trimethyl-2,5,8-triazanonane
Synonym
Toyocat DT
Synonym
Polycat 5
Synonym
N,N,N′,N′′,N′′-Pentamethyl-3-azapentane-1,5-diamine
Synonym
Kaolizer 3
Synonym
1,1,4,7,7-Pentamethyl-1,4,7-triazaheptane
Synonym
PC CAT PMDETA
Synonym
Desmorapid PV
Synonym
N,N,N′,N′′,N′′-Pentamethyldiethylenetriamine
Synonym
N,N,N′,N′′,N′′-Pentamethylbis(2-aminoethyl)amine
Synonym
N-[2-(Dimethylamino)ethyl]-N,N′,N′-trimethyl-1,2-ethanediamine
Synonym
Dabco PMDETA
Synonym
NSC 65659
Synonym
N-Methyl-N,N-bis(2-dimethylaminoethyl)amine
Synonym
PC 5
Synonym
Lupragen N 301
Synonym
N 301
Synonym
Jeffcat PMDETA
Synonym
Niax C 5
Synonym
Kao 3
Synonym
N,N-Bis(2-dimethylaminoethyl)methanamine
Synonym
Niax Catalyst C 5
Synonym
Tegoamin PMDETA
Synonym
KL 3
Synonym
DY 5
Synonym
AM 1
Synonym
(2-[[2-(Dimethylamino)ethyl](methyl)amino]ethyl)dimethylamine
Synonym
N1,N1,N3,N5,N5-Pentamethyl-3-azapentane-1,5-diamine
Synonym
Identifiers:
SMILES:
CN(C)CCN(C)CCN(C)C
InChI:
InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 173.304 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 173.18919773599998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.72 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.04140000000000099 | RDKit |
| molecular_mass | 173.30 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/PMDTA None | Legacy Database |
| cas-boiling-point | 85-86 °C @ Press: 12 Torr None | Legacy Database |
| cas-canonical-smile | N(C)(C)CCN(C)CCN(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UKODFQOELJFMII-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 162-163 °C None | Legacy Database |
| cas-name | Pentamethyldiethylenetriamine None | Legacy Database |
| wikipedia-name | PMDTA None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 54.60500000000005 | RDKit |