Dl-cysteine hydrochloride monohydrate

C₃H₁₀ClNO₃SCAS 116797-51-4175.63 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Thiol

Properties

Molecular formula: C₃H₁₀ClNO₃S
Molar mass: 175.63 g/mol
Exact mass: 175.0070 Da
logP: -1.07Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation96.7% of notifiers
H319 Causes serious eye irritation96.7% of notifiers
H335 May cause respiratory irritation87.9% of notifiers

Aggregated from 91 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

116797-51-4

SMILES

C(C(C(=O)O)N)S.O.Cl

InChIKey

QIJRTFXNRTXDIP-UHFFFAOYSA-N

InChI

InChI=1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2

Weigh it out

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

Names and synonyms

1 names

DL-cysteine hydrochloride hydrate

Work with Dl-cysteine hydrochloride monohydrate

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.

L-(+)-Cysteine hydrochloride52-89-1Anhydrous, defined stereoisomer (±)-Cysteine hydrochloride10318-18-0Anhydrous D-Cysteine hydrochloride32443-99-5Anhydrous, defined stereoisomer Cysteine52-90-4Free base, defined stereoisomer D-Cysteine921-01-7Free base, defined stereoisomer Cysteine3374-22-9Free base Cysteine hydrochloride monohydrate7048-04-6Defined stereoisomer DL-cysteine hydrochloride hydrate96998-61-7

Similar compounds

(S)-(+)-2,3-Diaminopropionic acid hydrochloride1482-97-956 % similar DL-2,3-Diaminopropionic acid hydrochloride54897-59-556 % similar DL-2,3-Diaminopropionic acid hydrochloride6018-55-956 % similar (R)-(-)-2,3-Diaminopropionic acid hydrochloride6018-56-056 % similar Cystine dihydrochloride30925-07-655 % similar L-Cystine, hydrochloride (1:?)34760-60-655 % similar 3-Chloro-L-alanine hydrochloride51887-89-955 % similar (s)-2-Aminobutanoic acid hydrochloride5959-29-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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