chempirical

(2S)-2-Amino-3,3-dimethyl-1-butanol

C6H15NOCAS 112245-13-3117.19 g/mol

Open in Covalent MOL file
NH2OH
AlcoholPrimary amine

Properties

Molecular formula
C6H15NO
Molar mass
117.19 g/mol
Exact mass
117.1154 Da
Melting point
31–33 °C
Boiling point
87–89 °C (at 5 Torr)
logP
0.35Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Sin 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
112245-13-3
SMILES
CC(C)(C)[C@H](N)CO
InChIKey
JBULSURVMXPBNA-RXMQYKEDSA-N
InChI
InChI=1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • 1-Butanol, 2-amino-3,3-dimethyl-, (2S)-
  • 1-Butanol, 2-amino-3,3-dimethyl-, (S)-
  • (S)-tert-Leucinol
  • L-tert-Leucinol
  • (S)-2-Amino-3,3-dimethyl-1-butanol
  • (S)-(+)-tert-Leucinol
  • (S)-(+)-2-Amino-3,3-dimethylbutanol
  • (S)-2-Amino-3,3-dimethylbutanol
  • (2S)-2-Amino-3,3-dimethylbutan-1-ol

Work with (2S)-2-Amino-3,3-dimethyl-1-butanol

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.

(2R)-2-Amino-3,3-dimethylbutan-1-ol112245-09-7Enantiomer

Similar compounds

Serinol534-03-243 % similar 2-Amino-1-butanol13054-87-040 % similar (+)-2-Amino-1-butanol5856-62-240 % similar (R)-2-Amino-1-butanol5856-63-340 % similar 2-Amino-1-butanol96-20-840 % similar L-Alaninol2749-11-338 % similar (R)-(-)-2-Amino-1-propanol35320-23-138 % similar Alaninol6168-72-538 % similar

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

Same formula

Diethylethanolamine100-37-8 Butylethanolamine111-75-1 (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 D-Leucinol53448-09-2

Elsewhere

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