Cystine dihydrochloride

C₆H₁₄Cl₂N₂O₄S₂CAS 30925-07-6313.21 g/mol

Open in Covalent MOL file

Carboxylic acid Disulfide Primary amine

Properties

Molecular formula: C₆H₁₄Cl₂N₂O₄S₂
Molar mass: 313.21 g/mol
Exact mass: 311.9772 Da
logP: 0.04Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 7
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage81.2% of notifiers
H318 Causes serious eye damage81.2% of notifiers

Aggregated from 16 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

30925-07-6

SMILES

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

InChIKey

HHGZUQPEIHGQST-RGVONZFCSA-N

InChI

InChI=1S/C6H12N2O4S2.2ClH/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);2*1H/t3-,4-;;/m0../s1

Weigh it out

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

Names and synonyms

3 names

L-Cystine, dihydrochloride
L-Cystine, hydrochloride (1:2)
Cystine, dihydrochloride, L-

Work with Cystine 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

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.

Cystine56-89-3Free base 2-Azaniumyl-3-((2-azaniumyl-2-carboxylatoethyl)disulfanyl)propanoate923-32-0Free base, stereo not defined D-Cystine349-46-2Free base, enantiomer L-Cystine, hydrochloride (1:?)34760-60-6Salt

Similar compounds

DL-Lanthionine3183-08-267 % similar S-Methylcysteine1187-84-466 % similar S-tert-Butyl-L-cysteine hydrochloride2481-09-664 % similar (S)-(+)-2,3-Diaminopropionic acid hydrochloride1482-97-962 % similar Djenkolic acid498-59-962 % similar DL-2,3-Diaminopropionic acid hydrochloride54897-59-562 % similar DL-2,3-Diaminopropionic acid hydrochloride6018-55-962 % similar (R)-(-)-2,3-Diaminopropionic acid hydrochloride6018-56-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook