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

C₆H₁₆ClNOCAS 133736-94-4153.65 g/mol

Open in Covalent MOL file

Alcohol Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: S, Sin SMILES atom order

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

Similar compounds

(2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-288 % similar Valinol16369-05-446 % similar D-Valinol4276-09-946 % similar (±)-Valinol473-75-646 % similar (2S,3S)-2-Amino-1,3-butanediol44520-55-043 % similar Rel-(2R,3R)-2-amino-1,3-butanediol515-93-543 % similar H-Ile-nh2 hcl10466-56-542 % similar 2-Amino-1-butanol13054-87-041 % 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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