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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 Mass:
112.18 g/mol
Names and Synonyms:
Dabco
1,4-Diazabicyclo[2.2.2]octane
Bicyclo[2.2.2]-1,4-diazaoctane
N,N′-endo-Ethylenepiperazine
Triethylenediamine
Dabco
1,4-Ethylenepiperazine
Dabco 33LV
D 33LV
Thancat TD 33
TED
TEDA
Texacat TD 100
L 33
Niax A 33
Tegamine 33
Thancat TD 33A
Texacat TD 33
A 33
Dabco L 1202
Minico L 1020
Dabco S 25
TEDA L 33
LC 96003
Toral SM 2
Dabco Crystalline
Toyocat L 33
Dabco 3LV
PC CAT TD 33
NSC 56362
Polycat 33LV
Tego Amine
Jeffcat TD 100
TD 100
Toyocat TEDA L 33
L 33E
33LV
Activator 105E
Dabco Crystal
LV 33
Kaolizer 31
PC-TD
AE 33
Tegoamin 33
S 25
TEDA-L 33B
Dabco A 33
PT 301
PT 301 (catalyst)
A 33LV
Catalyst A 33
TEDA 33P
33LSI
Lupragen N 201
Dabco H 1010
Amicure TEDA
S 33
Dabco D 0134
Dabco 33
PUR 812
Dabco 33S
TEDA-L 25B
TEDA 33
Identifiers:
SMILES:
C1CN2CCN1CC2
InChI:
InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
Key Properties
Boiling Point
174 °C
CAS Common Chemistry
Melting Point
158 °C
CAS Common Chemistry
Density
1.14 g/cm³
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 | 112.18 g/mol | CAS Common Chemistry |
| 112.176 g/mol | RDKit | |
| 112.10004838399999 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.14 g/cm3 @ Temp: 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 |
| LogP | -0.3824000000000001 | RDKit |
| Molar Refractivity | 32.87999999999999 | RDKit |
