L-Threoninol

C₄H₁₁NO₂CAS 3228-51-1105.14 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₄H₁₁NO₂
Molar mass: 105.14 g/mol
Exact mass: 105.0790 Da
logP: -1.31Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2
Stereocentres: R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3228-51-1

SMILES

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

InChIKey

MUVQIIBPDFTEKM-QWWZWVQMSA-N

InChI

InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1

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Names and synonyms

1 names

Threoninol

Work with L-Threoninol

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.

Rel-(2R,3R)-2-Amino-1,3-butanediol515-93-5Enantiomer (2S,3S)-2-Amino-1,3-butanediol44520-55-0Enantiomer

Similar compounds

Valinol16369-05-457 % similar (+)-Valinol2026-48-457 % similar D-Valinol4276-09-957 % similar (±)-Valinol473-75-657 % similar (2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-248 % similar (2S,3S)-2-Amino-3-methylpentan-1-ol hydrochloride133736-94-443 % similar L-Alaninol2749-11-342 % similar (R)-(-)-2-Amino-1-propanol35320-23-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diethanolamine111-42-2 2-Amino-2-methyl-1,3-propanediol115-69-5 Aminoacetaldehyde dimethyl acetal22483-09-6 Polyethylene glycol 2-aminoethyl ether32130-27-1 3-(Methylamino)propane-1,2-diol40137-22-2 Diglycolamine929-06-6

Elsewhere

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