(S)-3-Amino-1,2-propanediol

C₃H₉NO₂CAS 61278-21-591.11 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₃H₉NO₂
Molar mass: 91.11 g/mol
Exact mass: 91.0633 Da
logP: -1.70Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

61278-21-5

SMILES

C([C@@H](CO)O)N

InChIKey

KQIGMPWTAHJUMN-VKHMYHEASA-N

InChI

InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m0/s1

Weigh it out

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

Names and synonyms

1 names

3-Amino-1,2-propanediol, (S)-

Work with (S)-3-Amino-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

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.

(2R)-3-Aminopropane-1,2-diol66211-46-9Enantiomer 3-Amino-1,2-propanediol616-30-8Stereo not defined

Similar compounds

1,3-Diamino-2-propanol616-29-565 % similar Polyglycerol25618-55-759 % similar Glycerol56-81-559 % similar 1-Amino-2-butanol13552-21-150 % similar 1,2-Butanediol26171-83-545 % similar 1,2,4-Butanetriol3068-00-645 % similar (2R)-1,2-Butanediol40348-66-145 % similar (-)-1,2,4-Butanetriol42890-76-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ammonium propionate17496-08-1 Serinol534-03-2

Elsewhere

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