D-Valinol

C5H13NOCAS 4276-09-9103.16 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
31.5–33 °C
logP
-0.04Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
4276-09-9
SMILES
CC(C)[C@@H](N)CO
InChIKey
NWYYWIJOWOLJNR-YFKPBYRVSA-N
InChI
InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • 1-Butanol, 2-amino-3-methyl-, (2R)-
  • 1-Butanol, 2-amino-3-methyl-, D-
  • 1-Butanol, 2-amino-3-methyl-, (R)-
  • (2R)-2-Amino-3-methyl-1-butanol
  • (-)-Valinol
  • (R)-Valinol
  • (R)-(-)-2-Amino-3-methyl-1-butanol
  • (R)-2-Amino-3-methyl-1-butanol
  • (R)-2-Amino-3-methylbutanol
  • (2R)-2-Amino-3-methylbutan-1-ol
  • [(R)-1-(Hydroxymethyl)-2-methylpropyl]amine
  • (-)-2-Amino-3-methyl-1-butanol
  • (R)-2-Amino-3-methylbutan-2-ol

Work with D-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 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.

(+)-Valinol2026-48-4Enantiomer 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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