D-Leucinol

C₆H₁₅NOCAS 53448-09-2117.19 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₆H₁₅NO
Molar mass: 117.19 g/mol
Exact mass: 117.1154 Da
logP: 0.35Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Danger

H227 Combustible liquid10% of notifiers
H302 Harmful if swallowed40% of notifiers
H314 Causes severe skin burns and eye damage40% of notifiers
H315 Causes skin irritation60% of notifiers
H318 Causes serious eye damage40% of notifiers
H319 Causes serious eye irritation60% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P405, P501

Identifiers

CAS number

53448-09-2

SMILES

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

InChIKey

VPSSPAXIFBTOHY-ZCFIWIBFSA-N

InChI

InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1

Weigh it out

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

Names and synonyms

1 names

D(-)-Leucinol

Work with D-Leucinol

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.

L-Leucinol7533-40-6Enantiomer

Similar compounds

Serinol534-03-255 % similar 2-Amino-1-butanol13054-87-050 % similar (+)-2-Amino-1-butanol5856-62-250 % similar (R)-2-Amino-1-butanol5856-63-350 % similar 2-Amino-1-butanol96-20-850 % similar (R)-2-Amino-3-cyclohexylpropan-1-ol205445-49-448 % similar 2-Amino-1,3-propanediol hydrochloride73708-65-348 % similar Isobutanol78-83-148 % similar

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

Same formula

Diethylethanolamine100-37-8 Butylethanolamine111-75-1 (2R)-2-Amino-3,3-dimethylbutan-1-ol112245-09-7 (2S)-2-Amino-3,3-dimethyl-1-butanol112245-13-3 (2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-2 3-Isopropoxypropylamine2906-12-9 6-Amino-1-hexanol4048-33-3 2-(tert-Butylamino)ethanol4620-70-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook