Cystine dimethyl ester dihydrochloride

C₈H₁₈Cl₂N₂O₄S₂CAS 32854-09-4341.26 g/mol

Open in Covalent MOL file

Disulfide Ester Primary amine

Properties

Molecular formula: C₈H₁₈Cl₂N₂O₄S₂
Molar mass: 341.26 g/mol
Exact mass: 340.0085 Da
logP: 0.21Crippen estimate
Polar surface area: 104.6 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 7
Stereocentres: R, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation97.4% of notifiers
H319 Causes serious eye irritation97.4% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 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

32854-09-4

SMILES

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

InChIKey

QKWGUPFPCRKKMQ-USPAICOZSA-N

InChI

InChI=1S/C8H16N2O4S2.2ClH/c1-13-7(11)5(9)3-15-16-4-6(10)8(12)14-2;;/h5-6H,3-4,9-10H2,1-2H3;2*1H/t5-,6-;;/m0../s1

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Names and synonyms

5 names

L-Cystine, 1,1′-dimethyl ester, hydrochloride (1:2)
L-Cystine, dimethyl ester, dihydrochloride
Cystine, dimethyl ester, dihydrochloride, L-
NSC 161614
L-Cystine dihydrochloride methyl ester

Work with Cystine dimethyl ester dihydrochloride

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

(S)-Methyl 2-aminobutanoate hydrochloride56545-22-366 % similar Methyl D-homoalaninate hcl85774-09-066 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-464 % similar Methyl cysteinate hydrochloride18598-63-564 % similar Methyl DL-serinate hydrochloride5619-04-564 % similar Serine methyl ester hydrochloride5680-80-864 % similar Methyl D-serinate hydrochloride5874-57-764 % similar Methionine methyl ester hydrochloride2491-18-163 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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