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7-Methyl-1,5,7-Triazabicyclo(4.4.0)Dec-5-Ene
CAS: 84030-20-6 | C8H15N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
84030-20-6
Molecular Formula:
C8H15N3
Molecular Weight:
153.229 g/mol
Names and Synonyms:
7-Methyl-1,5,7-Triazabicyclo(4.4.0)Dec-5-Ene
1-Methyl-1H,2H,3H,4H,6H,7H,8H-[1,3]diazino[1,2-a]pyrimidine
1-Methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine
1-Methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
7-Methyl-1,5,7-triazabicyclo[4.4.0]deca-5-ene
7-Methyl-1,5,7-triazabicyclo[4.4.0]decene-5
1,3,4,6,7,8-Hexahydro-1-methylpyrimido[1,2-a]pyridine
MTBD
7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine
2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-
Identifiers:
SMILES:
CN1CCCN2CCCN=C12
InChI:
InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3
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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.23 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/7-Methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene | Legacy Database | |
| cas-canonical-smile | N1=C2N(C)CCCN2CCC1 | Legacy Database | |
| cas-inchi | InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=OEBXWWBYZJNKRK-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene | Legacy Database | |
| wikipedia-name | 7-Methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene | Legacy Database | |
| LogP | 0.3835999999999997 | RDKit | |
| Molecular | Molecular Weight | 153.229 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.12659748 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 18.84 Ų | RDKit |
| Molar | Molar Refractivity | 45.739000000000026 | RDKit |
