N-Me-ala-otbu hcl

C₈H₁₈ClNO₂CAS 103614-40-0195.69 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₈H₁₈ClNO₂
Molar mass: 195.69 g/mol
Exact mass: 195.1026 Da
logP: 1.36Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

103614-40-0

SMILES

C[C@@H](C(=O)OC(C)(C)C)NC.Cl

InChIKey

PFFJYAVJRFRTKL-RGMNGODLSA-N

InChI

InChI=1S/C8H17NO2.ClH/c1-6(9-5)7(10)11-8(2,3)4;/h6,9H,1-5H3;1H/t6-;/m0./s1

Weigh it out

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

Names and synonyms

1 names

tert-Butyl (2S)-2-(methylamino)propanoate hydrochloride

Work with N-Me-ala-otbu hcl

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

tert-Butyl alaninate hydrochloride13404-22-354 % similar D-Alanine tert-butyl ester hydrochloride59531-86-154 % similar tert-Butyl (2S)-2-amino-3-methylbutanoate hydrochloride13518-40-651 % similar Piperidine-4-carboxylic acid tert-butyl ester hydrochloride892493-65-150 % similar H-D-Leu-otbu hcl13081-32-848 % similar D-Proline tert-butyl ester hydrochloride184719-80-048 % similar L-Leucine tert-butyl ester hydrochloride2748-02-948 % similar (S)-Proline tert-butyl ester hydrochloride5497-76-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Carpronium chloride13254-33-6 Leucine ethyl ester hydrochloride2743-40-0 Ethyl 2-amino-3-methylvalerate hydrochloride56782-52-6 H-Gamma-abu-otbu hcl58640-01-0 Glycine hexyl ester75980-28-8 tert-Butyl 2-amino-2-methylpropanoate hydrochloride84758-81-6

Elsewhere

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