3-Amino-1,2-propanediol

C₃H₉NO₂CAS 616-30-891.11 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
Melting point: 55–57 °C
Boiling point: 95–98 °C
logP: -1.70Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage94% of notifiers
H318 Causes serious eye damage59.8% of notifiers

Aggregated from 184 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

616-30-8

SMILES

NCC(O)CO

InChIKey

KQIGMPWTAHJUMN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

16 names · show all

1,2-Propanediol, 3-amino-
2,3-Dihydroxypropylamine
1-Amino-2,3-propanediol
1-Aminoglycerol
1-Amino-2,3-dihydroxypropane
3-Amino-2-hydroxy-1-propanol
3-Amino-1,2-dihydroxypropane
Isoserinol
(RS)-3-Amino-1,2-propanediol
(±)-3-Amino-1,2-propanediol
(±)-3-Amino-1,2-dihydroxypropane
2,3-Dihydroxypropanamine
NSC 67381
1,2-Dihydroxy-3-aminopropane
3-Amino-2-hydroxypropanol
2,3-Dihydroxypropan-1-amine

Work with 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 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.

(S)-3-Amino-1,2-propanediol61278-21-5Defined stereoisomer (2R)-3-Aminopropane-1,2-diol66211-46-9Defined stereoisomer

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

PubChem CAS Common Chemistry NIST WebBook