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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
Names and Synonyms:
Dmpu
2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-
Tetrahydro-1,3-dimethyl-2(1H)-pyrimidinone
N,N′-Dimethyltrimethyleneurea
1,3-Dimethylpropyleneurea
N,N′-Dimethyl-N,N′-propyleneurea
1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
DMPU
N,N′-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
DMPU (solvent)
1,3-Dimethyl-3,4,5,6-tetrahydro-2-pyrimidinone
1,3-Dimethyl-2-oxohexahydropyrimidine
1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidone
N,N′-Dimethyl-1,3-propanediamine cyclic urea
1,3-Dimethyl-1,3-diazinan-2-one
Identifiers:
SMILES:
CN1CCCN(C)C1=O
InChI:
InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
Key Properties
Boiling Point
140 °C @ Press: 44 Torr
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.18 g/mol | CAS Common Chemistry |
| 128.175 g/mol | RDKit | |
| 128.094963004 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DMPU | CAS Common Chemistry |
| Boiling Point | 140 °C @ Press: 44 Torr | 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 |
| DMPU | 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 |
| LogP | 0.3736999999999999 | RDKit |
| Molar Refractivity | 35.272999999999996 | RDKit |
