3-(Diethylamino)-1,2-propanediol

C₇H₁₇NO₂CAS 621-56-7147.22 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₇H₁₇NO₂
Molar mass: 147.22 g/mol
Exact mass: 147.1259 Da
Density: 0.9762 g/mL (at 20 °C)
Boiling point: 130 °C (at 25 Torr)
logP: -0.32Crippen estimate
Polar surface area: 43.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation91.2% of notifiers
H319 Causes serious eye irritation91.2% of notifiers
H335 May cause respiratory irritation58.8% of notifiers

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

621-56-7

SMILES

CCN(CC)CC(O)CO

InChIKey

LTACQVCHVAUOKN-UHFFFAOYSA-N

InChI

InChI=1S/C7H17NO2/c1-3-8(4-2)5-7(10)6-9/h7,9-10H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

1,2-Propanediol, 3-(diethylamino)-
1-Diethylamino-2,3-propanediol
NSC 97206
1-(Diethylamino)propan-2,3-diol
3-(Diethylamino)-1,2-propylene glycol

Work with 3-(Diethylamino)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Ethyl-3-pyrrolidinol30727-14-156 % similar 3-(Dimethylamino)-1,2-propanediol623-57-454 % similar 1-Ethyl-3-piperidinol13444-24-152 % similar 1-Ethylpiperidin-4-ol3518-83-048 % similar 1-(Diethylamino)-2-propanol4402-32-848 % similar 1,2-Butanediol26171-83-548 % similar (2R)-1,2-Butanediol40348-66-148 % similar 1,2-Butanediol584-03-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimethylformamide diethylacetal1188-33-6 (S)-3-(tert-Butylamino)propane-1,2-diol30315-46-9 1-Amino-3,3-diethoxypropane41365-75-7

Elsewhere

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