(2S,3S)-2-Amino-3-methylpentan-1-ol hydrochloride

C6H16ClNOCAS 133736-94-4153.65 g/mol

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OHNH2HCl
AlcoholPrimary amine

Properties

Molecular formula
C6H16ClNO
Molar mass
153.65 g/mol
Exact mass
153.0920 Da
logP
0.77Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
133736-94-4
SMILES
CC[C@H](C)[C@@H](CO)N.Cl
InChIKey
RAEHCGJWYOKYTE-RIHPBJNCSA-N
InChI
InChI=1S/C6H15NO.ClH/c1-3-5(2)6(7)4-8;/h5-6,8H,3-4,7H2,1-2H3;1H/t5-,6+;/m0./s1

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Names and synonyms

1 names
  • L-Isoleucinol hcl

Work with (2S,3S)-2-Amino-3-methylpentan-1-ol hydrochloride

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.

(2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-2Free base

Similar compounds

L-Beta-homoisoleucine hydrochloride219310-10-856 % similar Valinol16369-05-446 % similar (+)-Valinol2026-48-446 % similar D-Valinol4276-09-946 % similar (±)-Valinol473-75-646 % similar L-Threoninol3228-51-143 % similar (2S,3S)-2-Amino-1,3-butanediol44520-55-043 % similar Rel-(2R,3R)-2-Amino-1,3-butanediol515-93-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Diethylamino)ethanol hydrochloride14426-20-1

Elsewhere

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