3-(Dimethylamino)-1,2-propanediol
Properties
- Molecular formula
- C5H13NO2
- Molar mass
- 119.16 g/mol
- Exact mass
- 119.0946 Da
- Boiling point
- 216–220 °C
- logP
- -1.10Crippen estimate
- Polar surface area
- 43.7 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage100% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501
Identifiers
CAS number
623-57-4SMILES
CN(C)CC(O)COInChIKey
QCMHUGYTOGXZIW-UHFFFAOYSA-NInChI
InChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1,2-Propanediol, 3-(dimethylamino)-
- Methicol
- 1,2-Dihydroxy-3-(dimethylamino)propane
- (±)-3-(Dimethylamino)-1,2-propanediol
- NSC 8655
Work with 3-(Dimethylamino)-1,2-propanediol
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
3-(Diethylamino)-1,2-propanediol621-56-754 % similar
Polyglycerol25618-55-750 % similar
Glycerol56-81-550 % similar
1,2-Butanediol26171-83-546 % similar
(2R)-1,2-Butanediol40348-66-146 % similar
1,2-Butanediol584-03-246 % similar
(S)-Butane-1,2-diol73522-17-546 % similar
Dimethylaminoisopropanol108-16-744 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds