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Pmdta
CAS: 3030-47-5 | C9H23N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3030-47-5
- Molecular Formula
- C9H23N3
- Molecular Mass
- 173.30 g/mol
Identifiers
CAS Registry Number
3030-47-5
SMILES
CN(C)CCN(C)CCN(C)C
InChI Key
UKODFQOELJFMII-UHFFFAOYSA-N
InChI
InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3
Names and Synonyms
- 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
- PMDETA 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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.30 g/mol | CAS Common Chemistry |
| 173.304 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/PMDTA | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CCN(C)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UKODFQOELJFMII-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 162-163 °C | CAS Common Chemistry |
| Name | Pentamethyldiethylenetriamine | CAS Common Chemistry |
| PMDTA | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.72 Ų | RDKit |
| 9.03 Ų | chempirical lib | |
| LogP | 0.04140000000000099 | RDKit |
| 0.0414 | RDKit | |
| Molar Refractivity | 54.60500000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 173.18919773599998 g/mol | RDKit |
| Boiling Point | 85-86 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
