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Molecule
Dabco
CAS: 280-57-9 · C6H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 280-57-9
- Molecular Formula
- C6H12N2
- Molecular Mass
- 112.18 g/mol
Identifiers
CAS Registry Number
280-57-9
SMILES
C1CN2CCN1CC2
InChI Key
IMNIMPAHZVJRPE-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
Names and Synonyms
- Dabco Common Name
- Niax A 33 Synonym
- 1,4-Diazabicyclo[2.2.2]octane Synonym
- Bicyclo[2.2.2]-1,4-diazaoctane Synonym
- N,N′-endo-Ethylenepiperazine Synonym
- Triethylenediamine Synonym
- Dabco Synonym
- 1,4-Ethylenepiperazine Synonym
- Dabco 33LV Synonym
- D 33LV Synonym
- Thancat TD 33 Synonym
- TED Synonym
- TEDA Synonym
- Texacat TD 100 Synonym
- L 33 Synonym
- Tegamine 33 Synonym
- Thancat TD 33A Synonym
- Texacat TD 33 Synonym
- A 33 Synonym
- Dabco L 1202 Synonym
- Minico L 1020 Synonym
- Dabco S 25 Synonym
- TEDA L 33 Synonym
- LC 96003 Synonym
- Toral SM 2 Synonym
- Dabco Crystalline Synonym
- Toyocat L 33 Synonym
- Dabco 3LV Synonym
- PC CAT TD 33 Synonym
- NSC 56362 Synonym
- Polycat 33LV Synonym
- Tego Amine Synonym
- Jeffcat TD 100 Synonym
- TD 100 Synonym
- Toyocat TEDA L 33 Synonym
- L 33E Synonym
- 33LV Synonym
- Activator 105E Synonym
- Dabco Crystal Synonym
- LV 33 Synonym
- Kaolizer 31 Synonym
- PC-TD Synonym
- AE 33 Synonym
- Tegoamin 33 Synonym
- S 25 Synonym
- TEDA-L 33B Synonym
- Dabco A 33 Synonym
- PT 301 Synonym
- PT 301 (catalyst) Synonym
- A 33LV Synonym
- Catalyst A 33 Synonym
- TEDA 33P Synonym
- 33LSI Synonym
- Lupragen N 201 Synonym
- Dabco H 1010 Synonym
- Amicure TEDA Synonym
- S 33 Synonym
- Dabco D 0134 Synonym
- Dabco 33 Synonym
- PUR 812 Synonym
- Dabco 33S Synonym
- TEDA-L 25B Synonym
- TEDA 33 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.18 g/mol | CAS Common Chemistry |
| 112.176 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.14 g/cm3 @ 28 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DABCO | CAS Common Chemistry |
| Boiling Point | 174 °C | CAS Common Chemistry |
| Canonical SMILES | N12CCN(CC1)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IMNIMPAHZVJRPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C | CAS Common Chemistry |
| Name | Dabco | CAS Common Chemistry |
| DABCO | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | -0.3824000000000001 | RDKit |
| -0.3824 | RDKit | |
| Molar Refractivity | 32.87999999999999 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 112.10004838399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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Quick conversion
MW = 112.18 g/mol; density = 1.140 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12N2.
