Dabco

C₆H₁₂N₂CAS 280-57-9112.18 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₆H₁₂N₂
Molar mass: 112.18 g/mol
Exact mass: 112.1000 Da
Density: 1.14 g/mL (at 28 °C)
Melting point: 158 °C
Boiling point: 174 °C
pKa: 3, 8.7
Flash point: 62 °C
Water solubility: 450 g/L (25 °C)
logP: -0.38Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid82.6% of notifiers
H302 Harmful if swallowed96.5% of notifiers
H315 Causes skin irritation97.3% of notifiers
H318 Causes serious eye damage50.7% of notifiers
H319 Causes serious eye irritation44.2% of notifiers
H335 May cause respiratory irritation16.4% of notifiers
H412 Harmful to aquatic life with long lasting effects14.5% of notifiers

Aggregated from 801 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

280-57-9

SMILES

C1CN2CCN1CC2

InChIKey

IMNIMPAHZVJRPE-UHFFFAOYSA-N

InChI

InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

61 names · show all

1,4-Diazabicyclo[2.2.2]octane
Bicyclo[2.2.2]-1,4-diazaoctane
N,N′-endo-Ethylenepiperazine
Triethylenediamine
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

Work with Dabco

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Aziridineethanol1072-52-250 % similar 1,4-Piperazinediethanol122-96-350 % similar N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine140-07-850 % similar 1,4-Piperazinediethanamine6531-38-050 % similar 1,4-Bis(3′-aminopropyl)piperazine7209-38-343 % similar Quinuclidine100-76-542 % similar Tripropylamine102-69-242 % similar Triethanolamine102-71-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Amino-2,3-dimethylbutanenitrile13893-53-3 1,2-Diazaspiro[2.5]octane185-79-5 2-(Diethylamino)acetonitrile3010-02-4 1,4,5,6-Tetrahydro-1,2-dimethylpyrimidine4271-96-9

Elsewhere

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