Dimethyl cystinate--hydrogen chloride (1/1)
Basic information
- CAS
32854-09-4- Standard SMILES
COC(=O)C(N)CSSCC(N)C(=O)OC.Cl- InChIKey
HWLITAQLKZWPJB-UHFFFAOYSA-N- Molecular formula
- C8H17ClN2O4S2
- Average molar mass
- 304.8 g/mol
- Monoisotopic mass
- 304.0318271
Names & identifiers
- Preferred name
- Dimethyl cystinate--hydrogen chloride (1/1)
- IUPAC
- methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate;hydrochloride
- English name
- Dimethyl L-cystinate dihydrochloride
- Molecular formula
- C8H18Cl2N2O4S2
- Molecular weight
- 341.28
Names & synonyms
NSC638592SCHEMBL2801868DTXSID70954501NSC161614AKOS024386641NSC-638592Dimethyl cystinate--hydrogen chloride (1/1)ST51038526methyl 2-amino-3-{[2-amino-2-(methoxycarbonyl)ethyl]disulfanyl}propanoate, chl orideDimethyl 3,3'-disulfanediyl(2R,2'R)-bis(2-aminopropanoate) dihydrochlorideL-Cys DME 2HCl(CYS-OME)2.2hcl
Show more names
(H-Cys-OMe)2·HCl(L-Cys-OMe)2·2HCl(H-Cys-OMe)2.2HCI(H-CYS-OME)2 2 HCLCystine Impurity 1(H-L-Cys-OMe)2·2HClDIMETHYL CYSTINATE 2HCL
Database identifiers
- CAS
32854-09-4- PubChem CID
- 368174
- DTXSID
DTXSID70954501
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 182 · 182-183 °C (dec.)(lit.)
- alpha
- -35 · -35 º (c=4, MeOH)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO, Methanol, Water
- form
- Powder
- color
- White
- optical activity
- 22 · [α]22/D 36.0°, c = 4% in methanol
- BRN
- 4727524 · 4727524
- Major Application
- peptide synthesis
- InChI
- InChI=1/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-;;/s3
- InChIKey
- QKWGUPFPCRKKMQ-BNTLRKBRSA-N
- SMILES
- [C@H](N)(CSSC[C@H](N)C(=O)OC)C(=O)OC.Cl.Cl |&1:0,6,r|
- CAS DataBase Reference
- 32854 · 32854-09-4(CAS DataBase Reference)
- FDA UNII
- 9 E45OJ92M0 · 9E45OJ92M0
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29309090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280a-P304+P340-P405-P501a-P261-P305+P351+P338
Chemistry & industry
Applications
UsesL-Cystine-dimethyl Ester Dihydrochloride (cas# 32854-09-4) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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