chempirical

(+)-Valinol

C5H13NOCAS 2026-48-4103.16 g/mol

Open in Covalent MOL file
NH2OH
AlcoholPrimary amine

Properties

Molecular formula
C5H13NO
Molar mass
103.16 g/mol
Exact mass
103.0997 Da
Melting point
31–32 °C
Boiling point
71.5–73.5 °C
logP
-0.04Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
2026-48-4
SMILES
CC(C)[C@H](N)CO
InChIKey
NWYYWIJOWOLJNR-RXMQYKEDSA-N
InChI
InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • 1-Butanol, 2-amino-3-methyl-, (2S)-
  • 1-Butanol, 2-amino-3-methyl-, L-
  • 1-Butanol, 2-amino-3-methyl-, (S)-
  • (2S)-2-Amino-3-methyl-1-butanol
  • L-Valinol
  • (S)-2-Amino-3-methyl-1-butanol
  • (S)-Valinol
  • (S)-(+)-Valinol
  • (+)-(S)-Valinol
  • (2S)-Valinol
  • (S)-(+)-2-Amino-3-methyl-1-butanol
  • [(S)-1-(Hydroxymethyl)-2-methylpropyl]amine
  • NSC 322922
  • (+)-2-Amino-3-methyl-1-butanol
  • (S)-2-Amino-3-methylbutanol
  • (2S)-1-Hydroxy-3-methylbutan-2-amine

Reactions

Work with (+)-Valinol

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.

D-Valinol4276-09-9Enantiomer Valinol16369-05-4Stereo not defined (±)-Valinol473-75-6Stereo not defined

Similar compounds

L-Threoninol3228-51-157 % similar (2S,3S)-2-Amino-1,3-butanediol44520-55-057 % similar Rel-(2R,3R)-2-Amino-1,3-butanediol515-93-557 % similar (2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-252 % similar (2S,3S)-2-Amino-3-methylpentan-1-ol hydrochloride133736-94-446 % similar L-Alaninol2749-11-345 % similar (R)-(-)-2-Amino-1-propanol35320-23-145 % similar Alaninol6168-72-545 % similar

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

Same formula

Dimethylaminoisopropanol108-16-7 2-Isopropylaminoethanol109-56-8 5-Amino-1-pentanol2508-29-4 3-Amino-2,2-dimethyl-1-propanol26734-09-8 3-(Dimethylamino)-1-propanol3179-63-3 4-Amino-2-methyl-1-butanol44565-27-7

Elsewhere

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