Valinol

C₅H₁₃NOCAS 16369-05-4103.16 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₅H₁₃NO
Molar mass: 103.16 g/mol
Exact mass: 103.0997 Da
Melting point: 31–32 °C
Boiling point: 181–186 °C (at 720 Torr)
logP: -0.04Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

16369-05-4

SMILES

CC(C)C(N)CO

InChIKey

NWYYWIJOWOLJNR-UHFFFAOYSA-N

InChI

InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3

Weigh it out

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

Names and synonyms

12 names

1-Butanol, 2-amino-3-methyl-
1-Butanol, 2-amino-3-methyl-, DL-
1-Butanol, 2-amino-3-methyl-, (±)-
2-Amino-3-methyl-1-butanol
(±)-Valinol
Dl-Valinol
3-Methyl-2-aminobutanol
[1-(Hydroxymethyl)-2-methylpropyl]amine
rac-Valinol
(±)-2-Amino-3-methyl-1-butanol
2-Amino-3-methylbutanol
N-(1-Hydroxy-3-methylbutan-2-yl)amine

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 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.

(+)-Valinol2026-48-4Defined stereoisomer D-Valinol4276-09-9Defined stereoisomer (±)-Valinol473-75-6

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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