L-tert-Leucinamide hydrochloride

C₆H₁₅ClN₂OCAS 75158-12-2166.65 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₆H₁₅ClN₂O
Molar mass: 166.65 g/mol
Exact mass: 166.0873 Da
logP: 0.27Crippen estimate
Polar surface area: 69.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

75158-12-2

SMILES

CC(C)(C)[C@@H](C(=O)N)N.Cl

InChIKey

ZTHDYUDIZSIFRY-PGMHMLKASA-N

InChI

InChI=1S/C6H14N2O.ClH/c1-6(2,3)4(7)5(8)9;/h4H,7H2,1-3H3,(H2,8,9);1H/t4-;/m1./s1

Weigh it out

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

Names and synonyms

1 names

tert-Leucinamide hydrochloride, L-

Work with L-tert-Leucinamide 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

L-tert-Leucine methyl ester hydrochloride63038-27-753 % similar (2R)-2-Aminopropanamide hydrochloride71810-97-450 % similar L-tert-Leucine20859-02-347 % similar D-tert-Leucine26782-71-847 % similar tert-Leucine33105-81-647 % similar (2R)-2-Amino-3-methylbutanamide hydrochloride133170-58-845 % similar H-Val-nh2 hcl3014-80-045 % similar tert-Butyl (4S)-4-amino-4-carbamoylbutanoate hydrochloride108607-02-943 % similar

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

Same formula

H-Ile-nh2 hcl10466-56-5 Leucinamide hydrochloride10466-61-2 (R)-2-Amino-4-methylpentanamide hydrochloride80970-09-8

Elsewhere

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