CAS 207121-46-8 D-Cysteine hydrochloride monohydrate (HCID 10176341)

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Basic information

CAS: 207121-46-8
Standard SMILES: Cl.N[C@H](CS)C(=O)O.O
InChIKey: QIJRTFXNRTXDIP-NKCUBJMXNA-N
Molecular formula: C3H10ClNO3S
Average molar mass: 175.64 g/mol

Names & identifiers

Preferred name: D-Cysteine hydrochloride monohydrate
IUPAC: (2S)-2-amino-3-sulfanylpropanoic acid;hydrate;hydrochloride
English name: D-Cysteine hydrochloride
Molecular formula: C3H10ClNO3S
Molecular weight: 175.63

Names & synonyms

D-Cysteine hydrochloride monohydrate207121-46-8D-Cysteine hydrochloride hydrate(S)-2-Amino-3-mercaptopropanoic acid hydrochloride hydrateD-Cysteine, hydrochloride, hydrate (1:1:1)MFCD00150051(2S)-2-amino-3-sulfanylpropanoic acid;hydrate;hydrochlorideC3H10ClNO3SD-Cysteine Hydrochloride Hydrate;H-D-Cys-OH.HCl.H2OD-Cysteine HCl hydrate(s)-2-amino-3-mercaptopropanoic acid hydrochloride

Show more names

D-CYSTEINE HCLH-D-Cys-OH·HCl MonohydrateD-Cysteine Hydrochloride D-CYSTEINE HYDROCHLORIDE USP/EP/BPD-CYSTEINE HYDROCHLORIDE, 98.0%(T)TIANFU-CHEM - D-CYSTEINE HYDROCHLORIDED-Cysteine Hydrochloride Monohydrate>D-Cysteine, hydrochloride, hydrate (1:1:1)

d-cysh hclH-D-Cys-OH . HCl . H2Oh-d-cys-oh hclSCHEMBL607664(2S)-2-amino-3-sulfanylpropanoic acid hydrate hydrochlorideFD3010AKOS015855409AC-7470

Database identifiers

CAS: 207121-46-8
PubChem CID: 10176341
EC Number: 681-546-2

Properties

Computed structural properties

Topological polar surface area: 65.3 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 75.3

Physicochemical properties

Melting point: 185 °C · ~185 °C (dec.)
refractive index: -6 ° · -6 ° (C=8, 1mol/L HCl)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Crystalline Powder
color: White to yellow
optical activity: -4.4 ° · -4.4° (C=0.01 g/ml, 1N HCL)
Water Solubility: almost transparency
InChI: InChI=1/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/s3
InChIKey: QIJRTFXNRTXDIP-NKCUBJMXNA-N
SMILES: [C@@H](N)(CS)C(=O)O.Cl.O |&1:0,r|
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Safety data

F: 3-10-23
wgk: 3
hs_code: 2922.49.4950
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

UsesD-Cysteine Hydrochloride Monohydrate is used as a reactant in the expedient synthesis of electronically modified luciferins for bioluminescence imaging.