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Molecule
Dmpu
CAS: 7226-23-5 · C6H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7226-23-5
- Molecular Formula
- C6H12N2O
- Molecular Mass
- 128.18 g/mol
Identifiers
CAS Registry Number
7226-23-5
SMILES
CN1CCCN(C)C1=O
InChI Key
GUVUOGQBMYCBQP-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
Names and Synonyms
- Dmpu Synonym
- 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl- Synonym
- Tetrahydro-1,3-dimethyl-2(1H)-pyrimidinone Synonym
- N,N′-Dimethyltrimethyleneurea Synonym
- 1,3-Dimethylpropyleneurea Synonym
- N,N′-Dimethyl-N,N′-propyleneurea Synonym
- 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone Synonym
- DMPU Synonym
- N,N′-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone Synonym
- DMPU (solvent) Synonym
- 1,3-Dimethyl-3,4,5,6-tetrahydro-2-pyrimidinone Synonym
- 1,3-Dimethyl-2-oxohexahydropyrimidine Synonym
- 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidone Synonym
- N,N′-Dimethyl-1,3-propanediamine cyclic urea Synonym
- 1,3-Dimethyl-1,3-diazinan-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.18 g/mol | CAS Common Chemistry |
| 128.175 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DMPU | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C)CCCN1C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GUVUOGQBMYCBQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.55 Ų | RDKit |
| 23.09 Ų | chempirical lib | |
| LogP | 0.3736999999999999 | RDKit |
| 0.3737 | RDKit | |
| Molar Refractivity | 35.272999999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 128.094963004 g/mol | RDKit |
| Boiling Point | 140 °C @ 44 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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MW = 128.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12N2O.
