Serine methyl ester hydrochloride

C₄H₁₀ClNO₃CAS 5680-80-8155.58 g/mol

Open in Covalent MOL file

Alcohol Ester Primary amine

Properties

Molecular formula: C₄H₁₀ClNO₃
Molar mass: 155.58 g/mol
Exact mass: 155.0349 Da
Melting point: 161–162 °C
logP: -1.10Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation42.9% of notifiers
H319 Causes serious eye irritation42.9% of notifiers
H335 May cause respiratory irritation42.9% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

5680-80-8

SMILES

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

InChIKey

NDBQJIBNNUJNHA-DFWYDOINSA-N

InChI

InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/m0./s1

Weigh it out

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

Names and synonyms

12 names

L-Serine, methyl ester, hydrochloride (1:1)
Serine, methyl ester, hydrochloride, L-
L-Serine, methyl ester, hydrochloride
Methyl serinate hydrochloride
L-Serine methyl ester monohydrochloride
(S)-Serine methyl ester hydrochloride
Methyl L-serinate hydrochloride
NSC 84252
Methyl (S)-2-amino-3-hydroxypropanoate hydrochloride
1: PN: RU2506269 PAGE: 13 claimed sequence
Methyl (2S)-2-amino-3-hydroxy-propanoate hydrochloride
L-Serine methyl ester·HCl

Work with Serine methyl ester 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.

Methyl D-serinate hydrochloride5874-57-7Enantiomer Methyl DL-serinate hydrochloride5619-04-5Stereo not defined

Similar compounds

(S)-Methyl 2-aminobutanoate hydrochloride56545-22-366 % similar Methyl D-homoalaninate hcl85774-09-066 % similar L-Seryl ethyl ester hydrochloride26348-61-865 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-464 % similar Methyl cysteinate hydrochloride18598-63-564 % similar Cystine dimethyl ester dihydrochloride32854-09-464 % similar Dimethyl aspartate hydrochloride32213-95-962 % similar D-Leucine methyl ester hydrochloride5845-53-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Aminooxy)-2-methylpropionic acid hydrochloride89766-91-6

Elsewhere

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