Diisopropylamine
Properties
- Molecular formula
- C6H15N
- Molar mass
- 101.19 g/mol
- Exact mass
- 101.1204 Da
- Density
- 0.7169 g/mL (at 20 °C)
- Melting point
- −61 °C
- Boiling point
- 84 °C
- pKa
- 11.07 (in water)
- Flash point
- -6 °C (open cup)
- Water solubility
- miscible
- logP
- 1.39Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H332 Harmful if inhaledAcute toxicity, inhalation
Harmonised EU classification (CLP Annex VI, index 612-129-00-5), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
108-18-9SMILES
CC(C)NC(C)CInChIKey
UAOMVDZJSHZZME-UHFFFAOYSA-NInChI
InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 2-Propanamine, N-(1-methylethyl)-
- N-(1-Methylethyl)-2-propanamine
- N,N-Diisopropylamine
- Bis(isopropyl)amine
- NSC 6758
- N-(Propan-2-yl)propan-2-amine
- Bis(1-methylethyl)amine
- N-Isopropylpropan-2-amine
- Bis(propan-2-yl)amine
- D 0925
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 108-18-9. Each row opens the sheet with its composition and PDF.
Work with Diisopropylamine
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Isopropylcyclohexylamine1195-42-244 % similar
Methylisopropylamine4747-21-143 % similar
N,N′-Diisopropylethylenediamine4013-94-940 % similar
N-Ethyl-2-propanamine19961-27-435 % similar
Isopropylhydrazine hydrochloride16726-41-333 % similar
N-Isopropylhydroxylamine hydrochloride50632-53-633 % similar
2-Isopropylaminoethanol109-56-830 % similar
N-(1-Methylethyl)thiourea1719-76-230 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.