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7048-04-6 molecular structure
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(2R)-2-amino-3-sulfanylpropanoic acid hydrate hydrochloride

ChemBase ID: 102386
Molecular Formular: C3H10ClNO3S
Molecular Mass: 175.6344
Monoisotopic Mass: 175.00699187
SMILES and InChIs

SMILES:
O.Cl.N[C@@H](CS)C(=O)O
Canonical SMILES:
N[C@H](C(=O)O)CS.O.Cl
InChI:
InChI=1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/m0../s1
InChIKey:
QIJRTFXNRTXDIP-JIZZDEOASA-N

Cite this record

CBID:102386 http://www.chembase.cn/molecule-102386.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-sulfanylpropanoic acid hydrate hydrochloride
IUPAC Traditional name
L-cysteine hydrate hydrochloride
Synonyms
L-Cysteine hydrochloride hydrate
L-Cysteine hydrochloride monohydrate
Cysteine chlorhydrate
L-CYSTEINE HYDROCHLORIDE MONOHYDRATE
R)-2-Amino-3-mercaptopropanoic Acid Hydrochloride Hydrate
(R)-Cysteine Hydrochloride Hydrate
2-Amino-3-mercaptopropionic Acid Hydrochloride Hydrate
Cystein Hydrochloride Hydrate
Cysteine Hydrochloride Hydrate
E 920 Hydrochloride Hydrate
Half-cystine Hydrochloride Hydrate
L-(+)-Cysteine Hydrochloride Hydrate
3-Mercapto-L-alanine Hydrochloride Hydrate
L-Cys Hydrochloride Hydrate
NSC 8746 Hydrochloride Hydrate
Thioserine Hydrochloride Hydrate
β-Mercaptoalanine Hydrochloride Hydrate
H-Cys-OH.HCl.H2O
(R)-2-Amino-3-mercaptopropanoic acid hydrochloride hydrate
Cysteini hydrochloridum monohydricum
L-半胱氨酸 盐酸盐 水合物
L-半胱氨酸 盐酸盐 一水合物
L半胱氨酸 盐酸盐一水合物
L-盐酸半胱氨酸一水物
CAS Number
7048-04-6
345909-32-2
EC Number
200-157-7
MDL Number
MFCD00065606
Beilstein Number
5158059
Merck Index
142781
PubChem SID
24892797
162088095
24858178
24892385
24892992
24892902
24858173
PubChem CID
23462

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.3459952  H Acceptors
H Donor LogD (pH = 5.5) -2.7920592 
LogD (pH = 7.4) -2.8006835  Log P -2.7921333 
Molar Refractivity 28.2236 cm3 Polarizability 11.415023 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
H2O: soluble50 mg/mL expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
166-170°C expand Show data source
175°C expand Show data source
ca 175°C dec. expand Show data source
Optical Rotation
[α]20/D +5.6±0.3°, c = 5% in 5 M HCl expand Show data source
[α]23/D +5.2°, c = 2 in 5 M HCl expand Show data source
+5.5 (c=5 in 5N HCl) expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 1.0 expand Show data source
λ: 280 nm Amax: 0.3 expand Show data source
Storage Condition
Refrigerator expand Show data source
Room Temperature (15-30°C), Desiccate expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
HA2285000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
20-25°C expand Show data source
2-8°C expand Show data source
Purity
≥98% expand Show data source
≥98% (TLC) expand Show data source
≥99.0% expand Show data source
≥99.0% (RT) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
EP expand Show data source
JIS special grade expand Show data source
Ph Eur expand Show data source
PharmaGrade expand Show data source
reagent grade expand Show data source
USP expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
cell culture tested expand Show data source
meets EP, USP testing specifications expand Show data source
suitable for cell culture expand Show data source
suitable for manufacturing use expand Show data source
Ignition Residue
≤0.05% (as SO4) expand Show data source
≤0.1% (as SO4) expand Show data source
Impurities
≤0.5% foreign amino acids expand Show data source
≤1% foreign amino acids expand Show data source
endotoxin, tested expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤10 mg/kg expand Show data source
As: ≤0.5 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
NH4+: ≤500 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
sulfate (SO42-): ≤100 mg/kg expand Show data source
Biological Source
from non-animal source expand Show data source
Quality Level
GMP-COMPENDIA expand Show data source
λ
1 M in H2O expand Show data source
Pharmacopeia
testing & handling conforms to Pharmacopeia expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
HSCH2CH(NH2)CO2H·HCl·xH2O expand Show data source
HSCH2CH(NH2)COOH · HCl · H2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - C5610 external link
Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.
Packaging
Manufactured and Packaged under CGMP
Sigma Aldrich - 30129 external link
Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.
Sigma Aldrich - C121800 external link
Packaging
100 g in poly bottle
5 g in glass bottle
Sigma Aldrich - 30122 external link
Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.
Sigma Aldrich - 30130 external link
Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.
Sigma Aldrich - C7880 external link
Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.
Packaging
1 kg in poly bottle
100, 500 g in poly bottle
5 kg in poly drum
Sigma Aldrich - C6852 external link
Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.
Sigma Aldrich - 05-7470 external link
Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.
Toronto Research Chemicals - C995005 external link
L-Cysteine is a non-essential amino acid that can be synthesized by the human body under normal physiological conditions if a sufficient quantity of methionine is available. L-Cysteine is commonly used as a precursor in the food and pharmaceutical industr

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hui, N. et al.: Meat Sci. Appl., 74 (2001)
  • • Kiviharju, K. et al.: J. Biotechnol., 117, 299 (2001)
  • • Pecivova, P. et al.: J. Sci. Food Agric., 90, 1681 (2001)
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PATENTS

PATENTS

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INTERNET

INTERNET

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