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Dabco
CAS: 280-57-9 | C6H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
280-57-9
Molecular Formula:
C6H12N2
Molecular Weight:
112.176 g/mol
Names and Synonyms:
Dabco
Common Name
TEDA 33
Synonym
TEDA-L 25B
Synonym
Dabco 33S
Synonym
PUR 812
Synonym
Dabco 33
Synonym
Dabco D 0134
Synonym
S 33
Synonym
Amicure TEDA
Synonym
Dabco H 1010
Synonym
Lupragen N 201
Synonym
33LSI
Synonym
TEDA 33P
Synonym
Catalyst A 33
Synonym
A 33LV
Synonym
PT 301 (catalyst)
Synonym
PT 301
Synonym
Dabco A 33
Synonym
TEDA-L 33B
Synonym
S 25
Synonym
Tegoamin 33
Synonym
AE 33
Synonym
PC-TD
Synonym
Kaolizer 31
Synonym
LV 33
Synonym
Dabco Crystal
Synonym
Activator 105E
Synonym
33LV
Synonym
L 33E
Synonym
Toyocat TEDA L 33
Synonym
TD 100
Synonym
Jeffcat TD 100
Synonym
Tego Amine
Synonym
Polycat 33LV
Synonym
NSC 56362
Synonym
PC CAT TD 33
Synonym
Dabco 3LV
Synonym
Toyocat L 33
Synonym
Dabco Crystalline
Synonym
Toral SM 2
Synonym
LC 96003
Synonym
TEDA L 33
Synonym
Dabco S 25
Synonym
Minico L 1020
Synonym
Dabco L 1202
Synonym
A 33
Synonym
Texacat TD 33
Synonym
Thancat TD 33A
Synonym
Tegamine 33
Synonym
Niax A 33
Synonym
L 33
Synonym
Texacat TD 100
Synonym
TEDA
Synonym
TED
Synonym
Thancat TD 33
Synonym
D 33LV
Synonym
Dabco 33LV
Synonym
1,4-Ethylenepiperazine
Synonym
Dabco
Synonym
Triethylenediamine
Synonym
N,N′-endo-Ethylenepiperazine
Synonym
Bicyclo[2.2.2]-1,4-diazaoctane
Synonym
1,4-Diazabicyclo[2.2.2]octane
Synonym
Identifiers:
SMILES:
C1CN2CCN1CC2
InChI:
InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 112.176 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 112.10004838399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 6.48 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3824000000000001 | RDKit |
| molecular_mass | 112.18 g/mol | Legacy Database |
| density | 1.14 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/DABCO None | Legacy Database |
| cas-boiling-point | 174 °C None | Legacy Database |
| cas-canonical-smile | N12CCN(CC1)CC2 None | Legacy Database |
| cas-density | 1.14 g/cm3 @ Temp: 28 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=IMNIMPAHZVJRPE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 158 °C None | Legacy Database |
| cas-name | Dabco None | Legacy Database |
| wikipedia-name | DABCO None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.87999999999999 | RDKit |