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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
TEDA 33
TEDA-L 25B
Dabco 33S
PUR 812
Dabco 33
Dabco D 0134
S 33
Amicure TEDA
Dabco H 1010
Lupragen N 201
33LSI
TEDA 33P
Catalyst A 33
A 33LV
PT 301 (catalyst)
PT 301
Dabco A 33
TEDA-L 33B
S 25
Tegoamin 33
AE 33
PC-TD
Kaolizer 31
LV 33
Dabco Crystal
Activator 105E
33LV
L 33E
Toyocat TEDA L 33
TD 100
Jeffcat TD 100
Tego Amine
Polycat 33LV
NSC 56362
PC CAT TD 33
Dabco 3LV
Toyocat L 33
Dabco Crystalline
Toral SM 2
LC 96003
TEDA L 33
Dabco S 25
Minico L 1020
Dabco L 1202
A 33
Texacat TD 33
Thancat TD 33A
Tegamine 33
Niax A 33
L 33
Texacat TD 100
TEDA
TED
Thancat TD 33
D 33LV
Dabco 33LV
1,4-Ethylenepiperazine
Dabco
Triethylenediamine
N,N′-endo-Ethylenepiperazine
Bicyclo[2.2.2]-1,4-diazaoctane
1,4-Diazabicyclo[2.2.2]octane
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 |
