chempirical

Methyl isoleucinate hydrochloride

C7H16ClNO2CAS 18598-74-8181.66 g/mol

Open in Covalent MOL file
NH2OOHCl
EsterHalogenPrimary Amine

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
Melting point
100.5–101 °C
logP
0.95Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
18598-74-8
SMILES
CC[C@H](C)[C@H](N)C(=O)OC.Cl
InChIKey
GGTBEWGOPAFTTH-GEMLJDPKSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t5-,6-;/m0./s1

Weigh it out

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

Names and synonyms

5 names
  • L-Isoleucine, methyl ester, hydrochloride (1:1)
  • Isoleucine, methyl ester, hydrochloride, L-
  • L-Isoleucine, methyl ester, hydrochloride
  • Isoleucine methyl ester hydrochloride
  • Methyl L-isoleucinate hydrochloride

Work with Methyl isoleucinate 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

Same formula

L-Alanine tert-butyl ester hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 (±)-Valine ethyl ester hydrochloride23358-42-1 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 D-Alanine tert-butyl ester hydrochloride59531-86-1 Acetylcholine chloride60-31-1 (3-Carboxypropyl)trimethylammonium chloride6249-56-5 7-Aminoheptanoic acid hydrochloride62643-56-5

Elsewhere

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